CID 44119342

2-chloro-5-hydroxybenzeneboronic acid

Structural Information

Molecular Formula

C₆H₆BClO₃

SMILES

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

InChI

InChI=1S/C6H6BClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9-11H

InChIKey

SLAPQAZQRNMJLC-UHFFFAOYSA-N

Compound name

(2-chloro-5-hydroxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 172.00986 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]+	173.017136	128.0
[M+Na]+	194.999078	137.4
[M-H]-	171.002584	128.4
[M+NH4]+	190.043683	147.6
[M+K]+	210.973018	133.5
[M+H-H2O]+	155.007120	124.7
[M+HCOO]-	217.008061	144.1
[M+CH3COO]-	231.023711	170.1
[M+Na-2H]-	192.984526	133.1
[M]+	172.00931142	128.0
[M]-	172.01040858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe