CID 16782497

2-(2-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H15FN2O
SMILES
C1CN(CCN1)C(=O)CC2=CC=CC=C2F
InChI
InChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey
RQSLRWFUPHONSA-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.11684 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12412 152.1
[M+Na]+ 245.10606 163.2
[M+NH4]+ 240.15066 159.0
[M+K]+ 261.08000 156.7
[M-H]- 221.10956 152.9
[M+Na-2H]- 243.09151 158.0
[M]+ 222.11629 153.5
[M]- 222.11739 153.5
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