CID 221873

5406-21-3

Structural Information

Molecular Formula

C₁₄H₁₀ClNO₃

SMILES

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

InChI

InChI=1S/C14H10ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)

InChIKey

XSSZPZGQMKGAKN-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 275.0349 Da
Monoisotopic Mass: 3.3
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]+	276.04218	158.9
[M+Na]+	298.02412	172.6
[M+NH4]+	293.06872	166.4
[M+K]+	313.99806	166.0
[M-H]-	274.02762	162.4
[M+Na-2H]-	296.00957	167.0
[M]+	275.03435	162.0
[M]-	275.03545	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe