CID 2737266

58547-67-4

Structural Information

Molecular Formula

C₁₂H₁₄FNO

SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H14FNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2

InChIKey

UVBXLMBIXAPNBB-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 133
Patents: 207.10594 Da
Monoisotopic Mass: 2.3
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]+	208.113216	145.1
[M+Na]+	230.095158	150.5
[M-H]-	206.098664	148.3
[M+NH4]+	225.139763	162.2
[M+K]+	246.069098	147.6
[M+H-H2O]+	190.103200	136.4
[M+HCOO]-	252.104141	162.9
[M+CH3COO]-	266.119791	184.8
[M+Na-2H]-	228.080606	148.7
[M]+	207.10539142	139.0
[M]-	207.10648858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe