CID 55265280

929194-41-2

Structural Information

Molecular Formula

C₆H₇BFNO₂

SMILES

B(C1=CC(=NC=C1C)F)(O)O

InChI

InChI=1S/C6H7BFNO2/c1-4-3-9-6(8)2-5(4)7(10)11/h2-3,10-11H,1H3

InChIKey

ZYZNYWQUVYCGOP-UHFFFAOYSA-N

Compound name

(2-fluoro-5-methylpyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 155.05539 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]+	156.06267	126.9
[M+Na]+	178.04461	136.1
[M-H]-	154.04811	126.0
[M+NH4]+	173.08921	145.7
[M+K]+	194.01855	133.9
[M+H-H2O]+	138.05265	120.6
[M+HCOO]-	200.05359	146.4
[M+CH3COO]-	214.06924	171.9
[M+Na-2H]-	176.03006	132.3
[M]+	155.05484	124.7
[M]-	155.05594	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe