| SpectraBase Compound ID | HeZBv2XnKf0 |
|---|---|
| InChI | InChI=1S/C8H5BrFN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2 |
| InChIKey | QCKKUQZIPJBLQF-UHFFFAOYSA-N |
| Mol Weight | 214.04 g/mol |
| Molecular Formula | C8H5BrFN |
| Exact Mass | 212.95894 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LGhfHZpB6RJ |
|---|---|
| Name | 2-(Bromomethyl)-3-fluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.958940328 u |
| Formula | C8H5BrFN |
| InChI | InChI=1S/C8H5BrFN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2 |
| InChIKey | QCKKUQZIPJBLQF-UHFFFAOYSA-N |
| Molecular Weight | 214.037 g/mol |
| SMILES | C(C1=C(C#N)C=CC=C1F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928199 |