CID 4001464

1-[1-(4-fluoro-phenyl)-ethyl]-piperazine dihydrochloride

Structural Information

Molecular Formula
C12H17FN2
SMILES
CC(C1=CC=C(C=C1)F)N2CCNCC2
InChI
InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKey
PEOPJIYWTHRKKU-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorophenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

208.13757 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14485 148.1
[M+Na]+ 231.12679 152.8
[M-H]- 207.13029 148.2
[M+NH4]+ 226.17139 163.0
[M+K]+ 247.10073 148.7
[M+H-H2O]+ 191.13483 138.7
[M+HCOO]- 253.13577 162.5
[M+CH3COO]- 267.15142 184.4
[M+Na-2H]- 229.11224 151.2
[M]+ 208.13702 139.9
[M]- 208.13812 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe