CID 13787447

2-(2-fluorophenyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C10H13FN2
SMILES
C1CNC(CN1)C2=CC=CC=C2F
InChI
InChI=1S/C10H13FN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
InChIKey
JMLSZQAVDKFFCE-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

180.10628 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11356 139.4
[M+Na]+ 203.09550 144.9
[M-H]- 179.09900 138.5
[M+NH4]+ 198.14010 154.9
[M+K]+ 219.06944 139.9
[M+H-H2O]+ 163.10354 130.7
[M+HCOO]- 225.10448 154.1
[M+CH3COO]- 239.12013 149.6
[M+Na-2H]- 201.08095 144.4
[M]+ 180.10573 129.4
[M]- 180.10683 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe