CID 83940

Chloramphenicol 3-acetate

Structural Information

Molecular Formula
C13H14Cl2N2O6
SMILES
CC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKey
VVOIFRARHIZCJD-GHMZBOCLSA-N
Compound name
[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

152
Patents

364.0229 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03018 173.0
[M+Na]+ 387.01212 182.0
[M+NH4]+ 382.05672 177.3
[M+K]+ 402.98606 181.8
[M-H]- 363.01562 172.6
[M+Na-2H]- 384.99757 174.9
[M]+ 364.02235 174.1
[M]- 364.02345 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe