CID 289328

369-32-4

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H9FO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3

InChIKey

SMSVMBMJEYTUOZ-UHFFFAOYSA-N

Compound name

1-(4-fluoro-3-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 152.06374 Da
Monoisotopic Mass: 2.7
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	130.7
[M+Na]+	175.05296	143.7
[M+NH4]+	170.09756	139.1
[M+K]+	191.02690	137.2
[M-H]-	151.05646	131.7
[M+Na-2H]-	173.03841	137.3
[M]+	152.06319	132.7
[M]-	152.06429	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe