CID 12067058

452972-08-6

Structural Information

Molecular Formula

C₅H₅BBrNO₂

SMILES

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

InChI

InChI=1S/C5H5BBrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H

InChIKey

ODWRFKJNUJLAHM-UHFFFAOYSA-N

Compound name

(2-bromopyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 73
Patents: 200.95967 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]+	201.96695	131.7
[M+Na]+	223.94889	134.6
[M+NH4]+	218.99349	135.9
[M+K]+	239.92283	136.1
[M-H]-	199.95239	130.7
[M+Na-2H]-	221.93434	134.9
[M]+	200.95912	130.5
[M]-	200.96022	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe