| SpectraBase Compound ID | 4QRJm9yb80i |
|---|---|
| InChI | InChI=1S/C7H3ClF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H |
| InChIKey | CBMMVERXHJUMCM-UHFFFAOYSA-N |
| Mol Weight | 198.55 g/mol |
| Molecular Formula | C7H3ClF4 |
| Exact Mass | 197.98594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KMGhsES5MMS |
|---|---|
| Name | 2-Chloro-5-fluorobenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.985940449 u |
| Formula | C7H3ClF4 |
| InChI | InChI=1S/C7H3ClF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H |
| InChIKey | CBMMVERXHJUMCM-UHFFFAOYSA-N |
| Molecular Weight | 198.548 g/mol |
| SMILES | C(F)(F)(F)C1=C(C=CC(=C1)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940122 |