CID 3059022

75999-99-4

Structural Information

Molecular Formula

C₁₄H₂₀FN

SMILES

C1CNCCC1CCCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H20FN/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13/h4-7,13,16H,1-3,8-11H2

InChIKey

NOAWTCRBYKDFGP-UHFFFAOYSA-N

Compound name

4-[3-(4-fluorophenyl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 221.15797 Da
Monoisotopic Mass: 3.7
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]+	222.16525	152.1
[M+Na]+	244.14719	156.2
[M-H]-	220.15069	153.3
[M+NH4]+	239.19179	168.0
[M+K]+	260.12113	151.3
[M+H-H2O]+	204.15523	143.2
[M+HCOO]-	266.15617	168.3
[M+CH3COO]-	280.17182	186.9
[M+Na-2H]-	242.13264	155.4
[M]+	221.15742	144.8
[M]-	221.15852	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe