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

0
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

literature stripe

Patent stripe

patents stripe