| SpectraBase Spectrum ID |
8I8QVPyoYds |
| Name |
5-Amino-2-cyanobenzotrifluoride |
| CAS Registry Number |
654-70-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
186.040482658 u |
| Formula |
C8H5F3N2 |
| InChI |
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2 |
| InChIKey |
PMDYLCUKSLBUHO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
186.137 g/mol |
| Nominal Mass |
186 u |
| Quality |
993 |
| Retention Index |
1425 |
| SMILES |
NC1=CC(=C(C=C1)C#N)C(F)(F)F |
| SPLASH |
splash10-000i-1900000000-a41e33a2924a81c5c442 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Amino-2-(trifluoromethyl)benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027580 |
