CID 720118

328262-14-2

Structural Information

Molecular Formula
C17H16ClFN2O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClFN2O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKey
NZFSITISISONCP-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

318.0935 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10078 172.3
[M+Na]+ 341.08272 179.4
[M-H]- 317.08622 177.0
[M+NH4]+ 336.12732 184.2
[M+K]+ 357.05666 172.6
[M+H-H2O]+ 301.09076 161.3
[M+HCOO]- 363.09170 183.6
[M+CH3COO]- 377.10735 181.8
[M+Na-2H]- 339.06817 173.7
[M]+ 318.09295 168.8
[M]- 318.09405 168.8
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

No patent data available for this compound.