| SpectraBase Spectrum ID |
31CTF45Kwi |
| Name |
Chloramphenicol 2TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
513.976925041 u |
| Formula |
C15H10Cl2F6N2O7 |
| InChI |
InChI=1S/C15H10Cl2F6N2O7/c16-10(17)11(27)24(12(28)14(18,19)20)8(5-26)9(32-13(29)15(21,22)23)6-1-3-7(4-2-6)25(30)31/h1-4,8-10,26H,5H2/t8-,9-/m1/s1 |
| InChIKey |
YYHKNUQHJIBJPV-RKDXNWHRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
515.148 g/mol |
| Nominal Mass |
514 u |
| Quality |
998 |
| Retention Index |
3629 |
| SMILES |
OC[C@@](N(C(C(F)(F)F)=O)C(C(Cl)Cl)=O)([C@@](C=1C=CC(=CC1)[N+](=O)[O-])(OC(C(F)(F)F)=O)[H])[H] |
| SPLASH |
splash10-0udj-5940000000-707672b90d541564a5d7 |
| Sample Comments |
TFA position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-((dichloroacetyl)amino)-1-(4-nitrophenyl)prop-2-en-1-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000509 |
