CID 5338312

Sodium 4-(4-chlorobenzoylamino)benzoate

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H10ClNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKey
LEQBFRNHOFVPEH-UHFFFAOYSA-N
Compound name
4-[(4-chlorobenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

275.0349 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 158.9
[M+Na]+ 298.02412 172.6
[M+NH4]+ 293.06872 166.4
[M+K]+ 313.99806 166.0
[M-H]- 274.02762 162.4
[M+Na-2H]- 296.00957 167.0
[M]+ 275.03435 162.0
[M]- 275.03545 162.0
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

patents stripe