CID 5959

Chloramphenicol

Structural Information

Molecular Formula
C11H12Cl2N2O5
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKey
WIIZWVCIJKGZOK-RKDXNWHRSA-N
Compound name
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

26277
References

146575
Patents

322.01233 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01961 163.1
[M+Na]+ 345.00155 167.1
[M-H]- 321.00505 163.0
[M+NH4]+ 340.04615 175.6
[M+K]+ 360.97549 159.6
[M+H-H2O]+ 305.00959 164.0
[M+HCOO]- 367.01053 173.9
[M+CH3COO]- 381.02618 195.3
[M+Na-2H]- 342.98700 164.4
[M]+ 322.01178 163.1
[M]- 322.01288 163.1
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