CID 59191978

1207961-50-9

Structural Information

Molecular Formula

C₇H₈BClO₃

SMILES

B(C1=C(C=C(C=C1C)Cl)O)(O)O

InChI

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

InChIKey

CBPRFVJXGNVYLO-UHFFFAOYSA-N

Compound name

(4-chloro-2-hydroxy-6-methylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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	132.1
[M+Na]+	209.01472	142.0
[M-H]-	185.01822	132.8
[M+NH4]+	204.05932	151.5
[M+K]+	224.98866	137.9
[M+H-H2O]+	169.02276	128.9
[M+HCOO]-	231.02370	147.8
[M+CH3COO]-	245.03935	174.4
[M+Na-2H]-	207.00017	136.0
[M]+	186.02495	132.9
[M]-	186.02605	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe