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

81
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 157.8
[M+Na]+ 298.02412 165.6
[M-H]- 274.02762 163.5
[M+NH4]+ 293.06872 173.6
[M+K]+ 313.99806 160.6
[M+H-H2O]+ 258.03216 151.5
[M+HCOO]- 320.03310 176.3
[M+CH3COO]- 334.04875 196.1
[M+Na-2H]- 296.00957 161.5
[M]+ 275.03435 159.0
[M]- 275.03545 159.0
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