CID 70847

2-(2-aminobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2N)C(=O)O
InChI
InChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)
InChIKey
KORKIRUGUNPQML-UHFFFAOYSA-N
Compound name
2-(2-aminobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

250
Patents

241.0739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 153.3
[M+Na]+ 264.06312 165.8
[M+NH4]+ 259.10772 160.4
[M+K]+ 280.03706 160.4
[M-H]- 240.06662 156.6
[M+Na-2H]- 262.04857 160.9
[M]+ 241.07335 155.8
[M]- 241.07445 155.8
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