CID 14905392

85014-02-4

Structural Information

Molecular Formula

C₁₃H₁₅FO

SMILES

C1CCC(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10H,1-5H2

InChIKey

QDAMRMWTBRLMEG-UHFFFAOYSA-N

Compound name

cyclohexyl-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.11069 Da
Monoisotopic Mass: 3.8
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]+	207.117966	144.9
[M+Na]+	229.099908	149.8
[M-H]-	205.103414	149.4
[M+NH4]+	224.144513	163.2
[M+K]+	245.073848	146.7
[M+H-H2O]+	189.107950	137.1
[M+HCOO]-	251.108891	163.6
[M+CH3COO]-	265.124541	185.9
[M+Na-2H]-	227.085356	147.9
[M]+	206.11014142	138.6
[M]-	206.11123858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe