CID 2773330

2-chloro-4-methoxyphenylboronic acid

Structural Information

Molecular Formula

C₇H₈BClO₃

SMILES

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

InChI

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

InChIKey

LOCGPWGCRVKCFN-UHFFFAOYSA-N

Compound name

(2-chloro-4-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 377
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	133.1
[M+Na]+	209.01472	146.0
[M+NH4]+	204.05932	141.2
[M+K]+	224.98866	140.8
[M-H]-	185.01822	133.9
[M+Na-2H]-	207.00017	139.0
[M]+	186.02495	135.3
[M]-	186.02605	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe