CID 4341898

148135-87-9

Structural Information

Molecular Formula

C₁₃H₁₈FN

SMILES

C1CNCCC1CCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H18FN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3-6,12,15H,1-2,7-10H2

InChIKey

KXKCRYHRRIFFKX-UHFFFAOYSA-N

Compound name

4-[2-(4-fluorophenyl)ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 207.14233 Da
Monoisotopic Mass: 3.1
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]+	208.14961	147.6
[M+Na]+	230.13155	152.1
[M-H]-	206.13505	149.0
[M+NH4]+	225.17615	164.0
[M+K]+	246.10549	147.5
[M+H-H2O]+	190.13959	138.9
[M+HCOO]-	252.14053	164.1
[M+CH3COO]-	266.15618	183.9
[M+Na-2H]-	228.11700	151.4
[M]+	207.14178	139.9
[M]-	207.14288	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe