CID 53485463

1263375-23-0

Structural Information

Molecular Formula

C₅H₄BF₂NO₂

SMILES

B(C1=CC(=NC=C1F)F)(O)O

InChI

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

InChIKey

CFUGAJDUGLGADA-UHFFFAOYSA-N

Compound name

(2,5-difluoropyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
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	129.3
[M+Na]+	182.01954	139.7
[M+NH4]+	177.06414	135.3
[M+K]+	197.99348	135.7
[M-H]-	158.02304	126.6
[M+Na-2H]-	180.00499	133.7
[M]+	159.02977	129.6
[M]-	159.03087	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe