CID 17750219

1003043-34-2

Structural Information

Molecular Formula

C₆H₇BBrNO₂

SMILES

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

InChI

InChI=1S/C6H7BBrNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3

InChIKey

IPCXBKSYMWZLBR-UHFFFAOYSA-N

Compound name

(6-bromo-5-methylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 214.97533 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]+	215.98261	135.8
[M+Na]+	237.96455	138.8
[M+NH4]+	233.00915	139.8
[M+K]+	253.93849	140.3
[M-H]-	213.96805	134.9
[M+Na-2H]-	235.95000	138.5
[M]+	214.97478	134.6
[M]-	214.97588	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe