CID 362495

5-chloro-2-[(4-nitrobenzoyl)amino]benzoic acid

Structural Information

Molecular Formula
C14H9ClN2O5
SMILES
C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H9ClN2O5/c15-9-3-6-12(11(7-9)14(19)20)16-13(18)8-1-4-10(5-2-8)17(21)22/h1-7H,(H,16,18)(H,19,20)
InChIKey
PHCUSRZMXVSBFJ-UHFFFAOYSA-N
Compound name
5-chloro-2-[(4-nitrobenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.02 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02728 166.3
[M+Na]+ 343.00922 172.6
[M-H]- 319.01272 171.9
[M+NH4]+ 338.05382 179.1
[M+K]+ 358.98316 164.5
[M+H-H2O]+ 303.01726 164.3
[M+HCOO]- 365.01820 185.6
[M+CH3COO]- 379.03385 198.2
[M+Na-2H]- 340.99467 170.7
[M]+ 320.01945 166.6
[M]- 320.02055 166.6
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.