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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
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.
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