| SpectraBase Spectrum ID |
2p447OKE0A4 |
| Name |
4-Chloro-3-trifluoromethylphenylisocyanate |
| CAS Registry Number |
327-78-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.985525909 u |
| Formula |
C8H3ClF3NO |
| InChI |
InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H |
| InChIKey |
NBJZEUQTGLSUOB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.566 g/mol |
| Nominal Mass |
221 u |
| Quality |
999 |
| Retention Index |
1584 |
| SMILES |
C(C1=C(C=CC(=C1)N=C=O)Cl)(F)(F)F |
| SPLASH |
splash10-00di-4980000000-b278c504b06b7b3d0c64 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027488 |
