CID 91654419

(2-fluoro-6-hydroxypyridin-3-yl)boronic acid

Structural Information

Molecular Formula

C₅H₅BFNO₃

SMILES

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

InChI

InChI=1S/C5H5BFNO3/c7-5-3(6(10)11)1-2-4(9)8-5/h1-2,10-11H,(H,8,9)

InChIKey

FRPNKBHJKOFFRA-UHFFFAOYSA-N

Compound name

(2-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 157.03465 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]+	158.041926	125.2
[M+Na]+	180.023868	134.5
[M-H]-	156.027374	122.9
[M+NH4]+	175.068473	143.0
[M+K]+	195.997808	131.5
[M+H-H2O]+	140.031910	119.0
[M+HCOO]-	202.032851	143.8
[M+CH3COO]-	216.048501	167.8
[M+Na-2H]-	178.009316	130.4
[M]+	157.03410142	121.4
[M]-	157.03519858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe