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-fluoro-3-pyridinyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1762
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]+	142.047006	122.7
[M+Na]+	164.028948	131.3
[M-H]-	140.032454	121.4
[M+NH4]+	159.073553	141.7
[M+K]+	180.002888	129.3
[M+H-H2O]+	124.036990	116.3
[M+HCOO]-	186.037931	142.4
[M+CH3COO]-	200.053581	167.7
[M+Na-2H]-	162.014396	129.2
[M]+	141.03918142	119.7
[M]-	141.04027858	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe