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

43
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

No literature data available for this compound.

Patent stripe

patents stripe