CID 252597

4-benzamidobenzoic acid

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H11NO3/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18/h1-9H,(H,15,16)(H,17,18)

InChIKey

UZKKMWJMAJGMPF-UHFFFAOYSA-N

Compound name

4-benzamidobenzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 283
Patents: 241.0739 Da
Monoisotopic Mass: 2.1
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]+	242.081176	152.1
[M+Na]+	264.063118	158.2
[M-H]-	240.066624	157.6
[M+NH4]+	259.107723	168.0
[M+K]+	280.037058	154.9
[M+H-H2O]+	224.071160	144.6
[M+HCOO]-	286.072101	175.0
[M+CH3COO]-	300.087751	191.2
[M+Na-2H]-	262.048566	156.9
[M]+	241.07335142	150.5
[M]-	241.07444858	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe