CID 3079105

Piperazine, 1-(2-fluorophenyl)-4-(3-pyridinylcarbonyl)-

Structural Information

Molecular Formula
C16H16FN3O
SMILES
C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H16FN3O/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13/h1-7,12H,8-11H2
InChIKey
ZWPKPZSRKXZQOC-UHFFFAOYSA-N
Compound name
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12775 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13503 167.9
[M+Na]+ 308.11697 181.7
[M+NH4]+ 303.16157 174.8
[M+K]+ 324.09091 174.1
[M-H]- 284.12047 171.1
[M+Na-2H]- 306.10242 176.8
[M]+ 285.12720 170.6
[M]- 285.12830 170.6
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

No patent data available for this compound.