CID 21800507

2305254-66-2

Structural Information

Molecular Formula

C₁₂H₁₄FNO

SMILES

C1CN(CCC1=O)CC2=CC(=CC=C2)F

InChI

InChI=1S/C12H14FNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8H,4-7,9H2

InChIKey

ZFEZKLXZZLRZTD-UHFFFAOYSA-N

Compound name

1-[(3-fluorophenyl)methyl]piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	208.11322	147.6
[M+Na]+	230.09516	160.3
[M+NH4]+	225.13976	155.9
[M+K]+	246.06910	152.6
[M-H]-	206.09866	150.2
[M+Na-2H]-	228.08061	154.8
[M]+	207.10539	150.0
[M]-	207.10649	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe