SpectraBase Spectrum ID |
JIRfXeMEbVw |
Name |
Chloramphenicol-A (-H2O) TFA |
Classification |
Pharmaceutical drug artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
399.984061282 u |
Formula |
C13H9Cl2F3N2O5 |
InChI |
InChI=1S/C13H9Cl2F3N2O5/c1-6(19-11(21)10(14)15)9(25-12(22)13(16,17)18)7-2-4-8(5-3-7)20(23)24/h2-5,9-10H,1H2,(H,19,21)/t9-/m0/s1 |
InChIKey |
WPNJUTCGJQITFZ-VIFPVBQESA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
401.125 g/mol |
Nominal Mass |
400 u |
Quality |
997 |
Retention Index |
2896 |
SMILES |
[C@@](C(NC(C(Cl)Cl)=O)=C)(C=1C=CC(=CC1)[N+](=O)[O-])(OC(C(F)(F)F)=O)[H] |
SPLASH |
splash10-0udi-4910000000-b35538c19055c60ed92b |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(1R)-2-(2,2-dichloroacetamido)-1-(4-nitrophenyl)prop-2-en-1-yl trifluoroacetate |
Technique |
GC/MS |
Wiley ID |
DD2024_000507 |