CID 44717403

5-fluoropyridine-3-boronic acid

Structural Information

Molecular Formula

C₅H₅BFNO₂

SMILES

B(C1=CC(=CN=C1)F)(O)O

InChI

InChI=1S/C5H5BFNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H

InChIKey

FVEDGBRHTGXPOK-UHFFFAOYSA-N

Compound name

(5-fluoropyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1551
Patents: 141.03973 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]+	142.04701	124.6
[M+Na]+	164.02895	135.9
[M+NH4]+	159.07355	131.7
[M+K]+	180.00289	131.6
[M-H]-	140.03245	123.4
[M+Na-2H]-	162.01440	130.2
[M]+	141.03918	125.6
[M]-	141.04028	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe