| SpectraBase Spectrum ID |
GRMxMSifycz |
| Name |
3-Trifluoromethylaniline |
| Source of Sample |
Sigma-Aldrich Cat. #A41801 |
| CAS Registry Number |
98-16-8 |
| Classification |
Pesticides: Herbicides, Intermediers |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
161.045233686 u |
| Formula |
C7H6F3N |
| InChI |
InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2 |
| InChIKey |
VIUDTWATMPPKEL-UHFFFAOYSA-N |
| Molecular Weight |
161.127 g/mol |
| Number of Peaks |
47 |
| RI1 |
1047 |
| SMILES |
Nc1cccc(c1)C(F)(F)F |
| SPLASH |
splash10-03di-2900000000-f751824846e1b02517c3 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzenamine, 3-(trifluoromethyl)- |
| Wiley ID |
LM_PEST_848 |
