CID 292331

4-(phenylamino)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

297
References

470
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.