CID 11371

2,2'-iminodibenzoic acid

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKey
ZFRNOTZQUGWMQN-UHFFFAOYSA-N
Compound name
2-(2-carboxyanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

196
Patents

257.06882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 154.8
[M+Na]+ 280.05804 161.1
[M-H]- 256.06154 159.2
[M+NH4]+ 275.10264 169.4
[M+K]+ 296.03198 157.8
[M+H-H2O]+ 240.06608 147.5
[M+HCOO]- 302.06702 176.4
[M+CH3COO]- 316.08267 193.0
[M+Na-2H]- 278.04349 158.5
[M]+ 257.06827 153.3
[M]- 257.06937 153.3
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