CID 656580

Chloramphenicol succinate

Structural Information

Molecular Formula
C15H16Cl2N2O8
SMILES
C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1
InChIKey
LIRCDOVJWUGTMW-ZWNOBZJWSA-N
Compound name
4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

128
References

2868
Patents

422.02838 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.03566 182.9
[M+Na]+ 445.01760 184.8
[M-H]- 421.02110 182.6
[M+NH4]+ 440.06220 191.0
[M+K]+ 460.99154 178.7
[M+H-H2O]+ 405.02564 183.3
[M+HCOO]- 467.02658 191.9
[M+CH3COO]- 481.04223 212.5
[M+Na-2H]- 443.00305 181.4
[M]+ 422.02783 185.9
[M]- 422.02893 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.