| SpectraBase Compound ID | CCiQcLppOSE |
|---|---|
| InChI | InChI=1S/C3Cl2F3N/c4-2(5,1-9)3(6,7)8 |
| InChIKey | PAGYRHXJMBMTJV-UHFFFAOYSA-N |
| Mol Weight | 177.94 g/mol |
| Molecular Formula | C3Cl2F3N |
| Exact Mass | 176.935989 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DZE14vNqCCX |
|---|---|
| Name | 2,2-Dichloro-3,3,3-trifluoro-propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.935988893 u |
| Formula | C3Cl2F3N |
| InChI | InChI=1S/C3Cl2F3N/c4-2(5,1-9)3(6,7)8 |
| InChIKey | PAGYRHXJMBMTJV-UHFFFAOYSA-N |
| Molecular Weight | 177.941 g/mol |
| SMILES | C(C(F)(F)F)(C#N)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936741 |