CID 70699821

1366482-40-7

Structural Information

Molecular Formula

C₅H₄BF₂NO₂

SMILES

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

InChI

InChI=1S/C5H4BF2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H

InChIKey

DMQCLRPLFKDGQN-UHFFFAOYSA-N

Compound name

(5,6-difluoropyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 159.03032 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]+	160.03760	124.7
[M+Na]+	182.01954	134.3
[M-H]-	158.02304	122.5
[M+NH4]+	177.06414	143.2
[M+K]+	197.99348	131.9
[M+H-H2O]+	142.02758	117.6
[M+HCOO]-	204.02852	143.4
[M+CH3COO]-	218.04417	171.7
[M+Na-2H]-	180.00499	130.0
[M]+	159.02977	121.0
[M]-	159.03087	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe