CID 78458

4727-29-1

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

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

InChIKey

DSUPUOGOCIFZBG-UHFFFAOYSA-N

Compound name

2-(phenylcarbamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 1625
Patents: 241.0739 Da
Monoisotopic Mass: 2.6
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]+	242.08118	153.5
[M+Na]+	264.06312	166.0
[M+NH4]+	259.10772	160.8
[M+K]+	280.03706	160.1
[M-H]-	240.06662	157.0
[M+Na-2H]-	262.04857	161.8
[M]+	241.07335	156.1
[M]-	241.07445	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe