CID 21072425

1170133-64-8

Structural Information

Molecular Formula

C₁₄H₁₁ClO₃

SMILES

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

InChI

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

InChIKey

BLCXFSUTKOZWLS-UHFFFAOYSA-N

Compound name

3-(5-chloro-2-methoxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 262.03967 Da
Monoisotopic Mass: 4.0
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	154.8
[M+Na]+	285.02889	170.5
[M+NH4]+	280.07349	163.4
[M+K]+	301.00283	163.1
[M-H]-	261.03239	158.7
[M+Na-2H]-	283.01434	163.7
[M]+	262.03912	158.6
[M]-	262.04022	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe