CID 44118764

5-bromo-2-hydroxybenzeneboronic acid

Structural Information

Molecular Formula

C₆H₆BBrO₃

SMILES

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

InChI

InChI=1S/C6H6BBrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H

InChIKey

XSXTWLOHAGPBNO-UHFFFAOYSA-N

Compound name

(5-bromo-2-hydroxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 215.95934 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]+	216.966616	134.9
[M+Na]+	238.948558	146.1
[M-H]-	214.952064	137.9
[M+NH4]+	233.993163	155.2
[M+K]+	254.922498	134.9
[M+H-H2O]+	198.956600	135.7
[M+HCOO]-	260.957541	152.8
[M+CH3COO]-	274.973191	177.2
[M+Na-2H]-	236.934006	141.0
[M]+	215.95879142	151.4
[M]-	215.95988858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe