CID 70529

1-(2-fluorophenyl)piperazine

Structural Information

Molecular Formula
C10H13FN2
SMILES
C1CN(CCN1)C2=CC=CC=C2F
InChI
InChI=1S/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
IVTZRJKKXSKXKO-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2329
Patents

180.10628 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11356 138.9
[M+Na]+ 203.09550 144.8
[M-H]- 179.09900 139.3
[M+NH4]+ 198.14010 155.1
[M+K]+ 219.06944 140.7
[M+H-H2O]+ 163.10354 129.8
[M+HCOO]- 225.10448 155.1
[M+CH3COO]- 239.12013 149.8
[M+Na-2H]- 201.08095 144.4
[M]+ 180.10573 130.7
[M]- 180.10683 130.7
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