CID 11298712

118412-66-1

Structural Information

Molecular Formula

C₁₂H₁₄FNO

SMILES

C1CC(CNC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H14FNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h3-6,10,14H,1-2,7-8H2

InChIKey

QATFZQMCTVUVBH-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-piperidin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 207.10594 Da
Monoisotopic Mass: 1.7
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]+	208.113216	145.4
[M+Na]+	230.095158	150.3
[M-H]-	206.098664	147.1
[M+NH4]+	225.139763	161.6
[M+K]+	246.069098	146.4
[M+H-H2O]+	190.103200	137.0
[M+HCOO]-	252.104141	161.6
[M+CH3COO]-	266.119791	182.9
[M+Na-2H]-	228.080606	148.5
[M]+	207.10539142	137.5
[M]-	207.10648858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe