CID 12834322

40503-86-4

Structural Information

Molecular Formula

C₁₂H₁₃FO

SMILES

C1CC(=O)CCC1C2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2

InChIKey

KSQIGHIYGAPXCW-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 192.09505 Da
Monoisotopic Mass: 2.2
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]+	193.10233	139.6
[M+Na]+	215.08427	146.2
[M-H]-	191.08777	144.6
[M+NH4]+	210.12887	159.0
[M+K]+	231.05821	143.0
[M+H-H2O]+	175.09231	132.2
[M+HCOO]-	237.09325	159.7
[M+CH3COO]-	251.10890	183.1
[M+Na-2H]-	213.06972	143.8
[M]+	192.09450	134.1
[M]-	192.09560	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe