| SpectraBase Compound ID | 2y56jXhk2vg |
|---|---|
| InChI | InChI=1S/C8H5BrF4/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2 |
| InChIKey | JVQDTRQMKZMBAU-UHFFFAOYSA-N |
| Mol Weight | 257.03 g/mol |
| Molecular Formula | C8H5BrF4 |
| Exact Mass | 255.951076 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3JJnjOhcjJN |
|---|---|
| Name | 4-Fluoro-3-(trifluoromethyl)benzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.951075813 u |
| Formula | C8H5BrF4 |
| InChI | InChI=1S/C8H5BrF4/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2 |
| InChIKey | JVQDTRQMKZMBAU-UHFFFAOYSA-N |
| Molecular Weight | 257.026 g/mol |
| SMILES | C(F)(F)(F)C1=CC(CBr)=CC=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944546 |