CID 7023594

1-[2-(4-fluorophenyl)ethyl]piperidin-4-one

Structural Information

Molecular Formula
C13H16FNO
SMILES
C1CN(CCC1=O)CCC2=CC=C(C=C2)F
InChI
InChI=1S/C13H16FNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2
InChIKey
RLCBASWXFBEVKY-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)ethyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

221.1216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.128876 149.2
[M+Na]+ 244.110818 155.3
[M-H]- 220.114324 152.4
[M+NH4]+ 239.155423 166.0
[M+K]+ 260.084758 151.6
[M+H-H2O]+ 204.118860 140.3
[M+HCOO]- 266.119801 167.6
[M+CH3COO]- 280.135451 188.8
[M+Na-2H]- 242.096266 152.7
[M]+ 221.12105142 144.5
[M]- 221.12214858 144.5
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