| SpectraBase Compound ID | K57UXKmjJPl |
|---|---|
| InChI | InChI=1S/C8H4BrF2N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H |
| InChIKey | FRSGKCUCZONIBL-UHFFFAOYSA-N |
| Mol Weight | 232.03 g/mol |
| Molecular Formula | C8H4BrF2N |
| Exact Mass | 230.949518 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A28bsV2SGcr |
|---|---|
| Name | 2-(4-Bromophenyl)-2,2-difluoroacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.949518459 u |
| Formula | C8H4BrF2N |
| InChI | InChI=1S/C8H4BrF2N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H |
| InChIKey | FRSGKCUCZONIBL-UHFFFAOYSA-N |
| Molecular Weight | 232.028 g/mol |
| SMILES | C=1(Br)C=CC(=CC1)C(F)(F)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904235 |