CID 3699841

4-(4-fluorobenzyl)piperidine

Structural Information

Molecular Formula

C₁₂H₁₆FN

SMILES

C1CNCCC1CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2

InChIKey

JLAKCHGEEBPDQI-UHFFFAOYSA-N

Compound name

4-[(4-fluorophenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 3916
Patents: 193.12668 Da
Monoisotopic Mass: 2.6
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]+	194.13396	143.1
[M+Na]+	216.11590	148.0
[M-H]-	192.11940	144.6
[M+NH4]+	211.16050	160.1
[M+K]+	232.08984	143.7
[M+H-H2O]+	176.12394	134.6
[M+HCOO]-	238.12488	159.9
[M+CH3COO]-	252.14053	180.9
[M+Na-2H]-	214.10135	147.4
[M]+	193.12613	135.0
[M]-	193.12723	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe