CID 12850341

3-(phenylamino)benzoic acid

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C=C1)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C13H11NO2/c15-13(16)10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16)
InChIKey
RCHSJRJPIWLNPN-UHFFFAOYSA-N
Compound name
3-anilinobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

213.07898 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 145.0
[M+Na]+ 236.068198 151.6
[M-H]- 212.071704 150.5
[M+NH4]+ 231.112803 162.2
[M+K]+ 252.042138 147.9
[M+H-H2O]+ 196.076240 137.8
[M+HCOO]- 258.077181 168.9
[M+CH3COO]- 272.092831 186.6
[M+Na-2H]- 234.053646 151.6
[M]+ 213.07843142 143.0
[M]- 213.07952858 143.0
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