| SpectraBase Spectrum ID |
GWUls5JaLc8 |
| Name |
Isoniazid TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
233.041210932 u |
| Formula |
C8H6F3N3O2 |
| InChI |
InChI=1S/C8H6F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h1-4H,(H,13,15)(H,14,16) |
| InChIKey |
MDURIDWPKDWKKN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
233.150 g/mol |
| Nominal Mass |
233 u |
| Quality |
994 |
| Retention Index |
1922 |
| SMILES |
C(NNC(C(F)(F)F)=O)(C=1C=CN=CC1)=O |
| SPLASH |
splash10-0pdi-9600000000-4efba84f9ef996cf76dc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trifluoro-N'-(pyridin-4-ylcarbonyl)ethanehydrazide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001779 |
