CID 487721

5-chloro-2-hydroxy-n-(4-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H9ClN2O4
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C13H9ClN2O4/c14-8-1-6-12(17)11(7-8)13(18)15-9-2-4-10(5-3-9)16(19)20/h1-7,17H,(H,15,18)
InChIKey
HTXGLMUZXAFRII-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

50
Patents

292.0251 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03238 160.6
[M+Na]+ 315.01432 167.6
[M-H]- 291.01782 166.2
[M+NH4]+ 310.05892 174.8
[M+K]+ 330.98826 159.0
[M+H-H2O]+ 275.02236 158.7
[M+HCOO]- 337.02330 180.8
[M+CH3COO]- 351.03895 193.1
[M+Na-2H]- 312.99977 166.3
[M]+ 292.02455 160.4
[M]- 292.02565 160.4
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