RESULT PAGE

halogenated nitrogen-containing organic compound

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Result No.: 20250228102201976218934 Owner: publicuser Comments: 0
FTIR Analysis Report

halogenated nitrogen-containing organic compound

Sample & Measurement Parameters

Report No. 20250228102201976218934
Date 2025-02-28 02:25:36
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The present FTIR result does not support a firm compound-level identification. The library placed 2-fluoroacetonitrile first, but all reported library similarities are 0.000 and no direct or related literature evidence independently supports that assignment. With only bands at 798, 953, 1070, and 1215 cm⁻1, the most chemically supportable conclusion is a broad halogenated nitrogen-containing organic compound rather than a specific molecule

Detailed interpretation

  • Top library match: 2-fluoroacetonitrile #14044
  • No characteristic nitrile band near the expected 2200-2300 cm⁻1 region is reported, which weakens a specific assignment to 2-fluoroacetonitrile or another simple nitrile.
  • No reported N-H, aromatic, or clear heterocycle-related bands support the narrower library wording of nitrogen heterocycle.
  • The candidate list also contains chemically unrelated materials such as siloxanes, sulfur salts, phosphates, hydrocarbons, and film, showing that the retrieval is not selective.
  • There is no direct literature or reference spectrum evidence confirming chlorine, fluorine, or a specific nitrogen functionality in this sample.
  • The current peak set is too limited to distinguish among nitrile-containing, amine-containing, halogenated aliphatic, or other low-feature organic materials.
  • It remains uncertain whether the relevant halogen, if present, is fluorine, chlorine, or another substituent because the reported bands are not uniquely characteristic by themselves.
  • The absence of higher-wavenumber information prevents confirmation of key functional groups that would be needed for a narrower conclusion.

Recommended next steps: Re-acquire the FTIR spectrum over the full range, especially 4000-600 cm⁻1, to check for a nitrile band near 2200-2300 cm⁻1 and any N-H, C-H, or other characteristic bands. Inspect the sample for halogen content using an orthogonal method such as XRF, ion chromatography after combustion, or mass spectrometry if the sample amount allows. If 2-fluoroacetonitrile remains of interest, compare the sample directly against a reference spectrum of 2-fluoroacetonitrile and verify whether the expected nitrile absorption is present. If the material is part of a formulation or residue, consider GC-MS or LC-MS to determine whether the FTIR spectrum is from a small halogenated nitrogen-containing molecule or from a mixture.

Library Comparison

Match group:
Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
Loading library candidates...

Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1070 1.00 - - -
2 · 953 0.30 - - -
3 · 798 0.17 - - -
4 · 1215 0.14 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250228102201976218934 2025-02-28 02:25:36
Discussion

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