CID 12060162

458532-94-0

Structural Information

Molecular Formula

C₅H₅BBrNO₂

SMILES

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

InChI

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

InChIKey

DFIKFQMGZNTFLI-UHFFFAOYSA-N

Compound name

(2-bromopyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	130.2
[M+Na]+	223.94889	141.6
[M-H]-	199.95239	133.0
[M+NH4]+	218.99349	150.4
[M+K]+	239.92283	130.9
[M+H-H2O]+	183.95693	130.4
[M+HCOO]-	245.95787	148.6
[M+CH3COO]-	259.97352	176.1
[M+Na-2H]-	221.93434	138.3
[M]+	200.95912	147.0
[M]-	200.96022	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe