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Chloramphenicol-A (-H2O) TFA
SpectraBase Compound ID 2Lzg3qa1xCX
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
Mol Weight 401.13 g/mol
Molecular Formula C13H9Cl2F3N2O5
Exact Mass 399.984061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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