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

18
Patents

221.1216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12888 149.2
[M+Na]+ 244.11082 155.3
[M-H]- 220.11432 152.4
[M+NH4]+ 239.15542 166.0
[M+K]+ 260.08476 151.6
[M+H-H2O]+ 204.11886 140.3
[M+HCOO]- 266.11980 167.6
[M+CH3COO]- 280.13545 188.8
[M+Na-2H]- 242.09627 152.7
[M]+ 221.12105 144.5
[M]- 221.12215 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