CID 43848

61888-74-2

Structural Information

Molecular Formula

C₁₄H₁₁ClO₃

SMILES

COC1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClO3/c1-18-13-7-10(6-11(8-13)14(16)17)9-2-4-12(15)5-3-9/h2-8H,1H3,(H,16,17)

InChIKey

CQECLZXFANKLPX-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-5-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 262.03967 Da
Monoisotopic Mass: 3.7
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	153.6
[M+Na]+	285.02889	163.3
[M-H]-	261.03239	159.7
[M+NH4]+	280.07349	170.8
[M+K]+	301.00283	158.5
[M+H-H2O]+	245.03693	147.7
[M+HCOO]-	307.03787	171.9
[M+CH3COO]-	321.05352	192.9
[M+Na-2H]-	283.01434	157.6
[M]+	262.03912	157.3
[M]-	262.04022	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe