CID 22536

Dehydrochloramphenicol

Structural Information

Molecular Formula
C11H10Cl2N2O5
SMILES
C1=CC(=CC=C1C(=O)C(CO)NC(=O)C(Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H10Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8,10,16H,5H2,(H,14,18)
InChIKey
ZMCQNNUYRHSMAB-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-hydroxy-1-(4-nitrophenyl)-1-oxopropan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

319.99667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00395 163.0
[M+Na]+ 342.98589 167.7
[M-H]- 318.98939 164.3
[M+NH4]+ 338.03049 176.2
[M+K]+ 358.95983 160.4
[M+H-H2O]+ 302.99393 163.7
[M+HCOO]- 364.99487 175.4
[M+CH3COO]- 379.01052 196.8
[M+Na-2H]- 340.97134 164.7
[M]+ 319.99612 164.1
[M]- 319.99722 164.1
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.