CID 137185

3-fluorophenylacetone

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H9FO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3

InChIKey

UWCPYXSRCQVABG-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 152.06374 Da
Monoisotopic Mass: 2.0
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]+	153.07102	130.9
[M+Na]+	175.05296	143.5
[M+NH4]+	170.09756	139.4
[M+K]+	191.02690	136.9
[M-H]-	151.05646	131.9
[M+Na-2H]-	173.03841	137.7
[M]+	152.06319	132.9
[M]-	152.06429	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe