CID 2779353

3-fluoropyridine-4-boronic acid

Structural Information

Molecular Formula

C₅H₅BFNO₂

SMILES

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

InChI

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

InChIKey

QUHSESYLMZVXCN-UHFFFAOYSA-N

Compound name

(3-fluoropyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 747
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	122.7
[M+Na]+	164.02895	131.3
[M-H]-	140.03245	121.4
[M+NH4]+	159.07355	141.7
[M+K]+	180.00289	129.3
[M+H-H2O]+	124.03699	116.3
[M+HCOO]-	186.03793	142.4
[M+CH3COO]-	200.05358	167.7
[M+Na-2H]-	162.01440	129.2
[M]+	141.03918	119.7
[M]-	141.04028	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe