| SpectraBase Compound ID | LDebKRhEIjk |
|---|---|
| InChI | InChI=1S/C2ClF2N/c3-2(4,5)1-6 |
| InChIKey | GUIPZCNIFDPABQ-UHFFFAOYSA-N |
| Mol Weight | 111.48 g/mol |
| Molecular Formula | C2ClF2N |
| Exact Mass | 110.968733 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2QOh5PFGspg |
|---|---|
| Name | Acetonitrile, chlorodifluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.968733030 u |
| Formula | C2ClF2N |
| InChI | InChI=1S/C2ClF2N/c3-2(4,5)1-6 |
| InChIKey | GUIPZCNIFDPABQ-UHFFFAOYSA-N |
| Molecular Weight | 111.479 g/mol |
| SMILES | C(C(Cl)(F)F)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946009 |