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: 332
Patents: 213.07898 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.08626	146.7
[M+Na]+	236.06820	160.2
[M+NH4]+	231.11280	155.2
[M+K]+	252.04214	153.3
[M-H]-	212.07170	151.2
[M+Na-2H]-	234.05365	156.2
[M]+	213.07843	149.8
[M]-	213.07953	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe