CID 12245871

2-(2-(4-chlorophenoxy)phenyl)acetic acid

Structural Information

Molecular Formula

C₁₄H₁₁ClO₃

SMILES

C1=CC=C(C(=C1)CC(=O)O)OC2=CC=C(C=C2)Cl

InChI

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

InChIKey

ALMJMOPIBISVHZ-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 75
Patents: 262.03967 Da
Monoisotopic Mass: 4.2
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	155.2
[M+Na]+	285.02889	170.5
[M+NH4]+	280.07349	163.7
[M+K]+	301.00283	162.8
[M-H]-	261.03239	159.0
[M+Na-2H]-	283.01434	164.2
[M]+	262.03912	158.8
[M]-	262.04022	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe