CID 57415706

1141886-36-3

Structural Information

Molecular Formula

C₅H₅BFNO₃

SMILES

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

InChI

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

InChIKey

RNRSXDBJJSBHFY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
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]+	158.04193	125.2
[M+Na]+	180.02387	134.5
[M-H]-	156.02737	122.9
[M+NH4]+	175.06847	143.0
[M+K]+	195.99781	131.5
[M+H-H2O]+	140.03191	119.0
[M+HCOO]-	202.03285	143.8
[M+CH3COO]-	216.04850	167.8
[M+Na-2H]-	178.00932	130.4
[M]+	157.03410	121.4
[M]-	157.03520	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe