CID 9317196

1049731-50-1

Structural Information

Molecular Formula
C13H16ClFN2O
SMILES
C1CN(CCN1CC2=CC=CC=C2F)C(=O)CCl
InChI
InChI=1S/C13H16ClFN2O/c14-9-13(18)17-7-5-16(6-8-17)10-11-3-1-2-4-12(11)15/h1-4H,5-10H2
InChIKey
XBWWFUVPQFYDEP-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0935 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10078 159.6
[M+Na]+ 293.08272 166.2
[M-H]- 269.08622 161.1
[M+NH4]+ 288.12732 173.8
[M+K]+ 309.05666 161.0
[M+H-H2O]+ 253.09076 150.2
[M+HCOO]- 315.09170 171.0
[M+CH3COO]- 329.10735 195.4
[M+Na-2H]- 291.06817 161.5
[M]+ 270.09295 156.8
[M]- 270.09405 156.8
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.