CID 3082950

119061-18-6

Structural Information

Molecular Formula

C₁₄H₁₁ClO₃

SMILES

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

InChI

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

InChIKey

NGUVKIVGNXLBQE-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 262.03967 Da
Monoisotopic Mass: 3.8
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	154.3
[M+Na]+	285.02889	161.8
[M-H]-	261.03239	159.7
[M+NH4]+	280.07349	170.7
[M+K]+	301.00283	157.3
[M+H-H2O]+	245.03693	148.0
[M+HCOO]-	307.03787	171.6
[M+CH3COO]-	321.05352	191.4
[M+Na-2H]-	283.01434	158.4
[M]+	262.03912	156.6
[M]-	262.04022	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe