CID 58202083

1311265-40-3

Structural Information

Molecular Formula

SMILES

CC(=O)CC1=NC=C(C=C1)F

InChI

InChI=1S/C8H8FNO/c1-6(11)4-8-3-2-7(9)5-10-8/h2-3,5H,4H2,1H3

InChIKey

AMKZGJKFXGUZMZ-UHFFFAOYSA-N

Compound name

1-(5-fluoropyridin-2-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 153.05899 Da
Monoisotopic Mass: 0.6
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]+	154.06627	130.5
[M+Na]+	176.04821	143.1
[M+NH4]+	171.09281	138.3
[M+K]+	192.02215	136.9
[M-H]-	152.05171	130.6
[M+Na-2H]-	174.03366	137.1
[M]+	153.05844	132.2
[M]-	153.05954	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe