CID 8707035

3-[(3-chlorophenyl)methoxy]benzoic acid

Structural Information

Molecular Formula

C₁₄H₁₁ClO₃

SMILES

C1=CC(=CC(=C1)Cl)COC2=CC=CC(=C2)C(=O)O

InChI

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

InChIKey

KBJNBGAXZRIWHP-UHFFFAOYSA-N

Compound name

3-[(3-chlorophenyl)methoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 262.03967 Da
Monoisotopic Mass: 3.5
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	154.2
[M+Na]+	285.02889	162.9
[M-H]-	261.03239	159.9
[M+NH4]+	280.07349	171.0
[M+K]+	301.00283	158.0
[M+H-H2O]+	245.03693	148.0
[M+HCOO]-	307.03787	172.4
[M+CH3COO]-	321.05352	191.6
[M+Na-2H]-	283.01434	158.8
[M]+	262.03912	157.4
[M]-	262.04022	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe