CID 138039428

3-acetyl-1-(2-fluorophenyl)piperidin-2-one

Structural Information

Molecular Formula
C13H14FNO2
SMILES
CC(=O)C1CCCN(C1=O)C2=CC=CC=C2F
InChI
InChI=1S/C13H14FNO2/c1-9(16)10-5-4-8-15(13(10)17)12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8H2,1H3
InChIKey
UHRARZCJDQSHPH-UHFFFAOYSA-N
Compound name
3-acetyl-1-(2-fluorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10086 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10814 150.6
[M+Na]+ 258.09008 157.6
[M-H]- 234.09358 154.4
[M+NH4]+ 253.13468 166.9
[M+K]+ 274.06402 154.4
[M+H-H2O]+ 218.09812 142.0
[M+HCOO]- 280.09906 168.4
[M+CH3COO]- 294.11471 192.1
[M+Na-2H]- 256.07553 152.3
[M]+ 235.10031 146.4
[M]- 235.10141 146.4
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

No patent data available for this compound.