| SpectraBase Compound ID | JagJS0f2wNf |
|---|---|
| InChI | InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2 |
| InChIKey | CXCHEKCRJQRVNG-UHFFFAOYSA-N |
| Mol Weight | 182.54 g/mol |
| Molecular Formula | C2H2ClF3O2S |
| Exact Mass | 181.941613 g/mol |
| SpectraBase Spectrum ID | HEVzUUvAppt |
|---|---|
| Name | 2,2,2-Trifluoroethanesulfonyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.941612665 u |
| Formula | C2H2ClF3O2S |
| InChI | InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2 |
| InChIKey | CXCHEKCRJQRVNG-UHFFFAOYSA-N |
| Molecular Weight | 182.544 g/mol |
| SMILES | C(F)(F)(F)CS(=O)(=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.85864 |