CID 17750233

89694-46-2

Structural Information

Molecular Formula

C₇H₈BClO₃

SMILES

B(C1=C(C=CC(=C1)OC)Cl)(O)O

InChI

InChI=1S/C7H8BClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3

InChIKey

REFXAANPQCJZRY-UHFFFAOYSA-N

Compound name

(2-chloro-5-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 408
Patents: 186.0255 Da
Monoisotopic Mass: None
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]+	187.03278	132.0
[M+Na]+	209.01472	141.4
[M-H]-	185.01822	133.7
[M+NH4]+	204.05932	151.9
[M+K]+	224.98866	138.2
[M+H-H2O]+	169.02276	128.3
[M+HCOO]-	231.02370	149.3
[M+CH3COO]-	245.03935	175.6
[M+Na-2H]-	207.00017	137.1
[M]+	186.02495	134.3
[M]-	186.02605	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe