CID 7023594

23808-43-7

Structural Information

Molecular Formula

C₁₃H₁₆FNO

SMILES

C1CN(CCC1=O)CCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2

InChIKey

RLCBASWXFBEVKY-UHFFFAOYSA-N

Compound name

1-[2-(4-fluorophenyl)ethyl]piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 221.1216 Da
Monoisotopic Mass: 1.8
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]+	222.12888	152.2
[M+Na]+	244.11082	164.6
[M+NH4]+	239.15542	160.3
[M+K]+	260.08476	156.7
[M-H]-	220.11432	154.6
[M+Na-2H]-	242.09627	159.0
[M]+	221.12105	154.5
[M]-	221.12215	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe