CID 3478955

2,3-dichloropyridine-4-boronic acid

Structural Information

Molecular Formula

C₅H₄BCl₂NO₂

SMILES

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

InChI

InChI=1S/C5H4BCl2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H

InChIKey

ABRTZUPJNVJMHP-UHFFFAOYSA-N

Compound name

(2,3-dichloropyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 190.9712 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]+	191.97848	131.4
[M+Na]+	213.96042	145.4
[M+NH4]+	209.00502	139.6
[M+K]+	229.93436	139.7
[M-H]-	189.96392	131.7
[M+Na-2H]-	211.94587	137.8
[M]+	190.97065	134.0
[M]-	190.97175	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe