CID 3457896

2-(3-fluorophenyl)piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

180.10628 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.113556 139.4
[M+Na]+ 203.095498 144.9
[M-H]- 179.099004 138.5
[M+NH4]+ 198.140103 154.9
[M+K]+ 219.069438 139.9
[M+H-H2O]+ 163.103540 130.7
[M+HCOO]- 225.104481 154.1
[M+CH3COO]- 239.120131 149.6
[M+Na-2H]- 201.080946 144.4
[M]+ 180.10573142 129.4
[M]- 180.10682858 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

No literature data available for this compound.

Patent stripe

patents stripe