CID 11254522

70931-33-8

Structural Information

Molecular Formula

C₁₂H₁₇FN₂

SMILES

C1CN(CCN1)CCC2=CC=C(C=C2)F

InChI

InChI=1S/C12H17FN2/c13-12-3-1-11(2-4-12)5-8-15-9-6-14-7-10-15/h1-4,14H,5-10H2

InChIKey

LODHVDKKTUZVDK-UHFFFAOYSA-N

Compound name

1-[2-(4-fluorophenyl)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 208.13757 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]+	209.14485	147.9
[M+Na]+	231.12679	152.8
[M-H]-	207.13029	147.9
[M+NH4]+	226.17139	162.9
[M+K]+	247.10073	148.3
[M+H-H2O]+	191.13483	138.3
[M+HCOO]-	253.13577	163.3
[M+CH3COO]-	267.15142	183.6
[M+Na-2H]-	229.11224	152.2
[M]+	208.13702	140.4
[M]-	208.13812	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe