CID 40627

53137-07-8

Structural Information

Molecular Formula

C₁₄H₁₁ClO₃

SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)CC(=O)O)O)Cl

InChI

InChI=1S/C14H11ClO3/c15-12-3-1-10(2-4-12)11-5-9(7-14(17)18)6-13(16)8-11/h1-6,8,16H,7H2,(H,17,18)

InChIKey

VUQUJSBAENGCFB-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 262.03967 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]+	263.04695	155.5
[M+Na]+	285.02889	170.7
[M+NH4]+	280.07349	163.7
[M+K]+	301.00283	163.5
[M-H]-	261.03239	158.9
[M+Na-2H]-	283.01434	163.7
[M]+	262.03912	158.9
[M]-	262.04022	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe