CID 138039433

1-(3-fluorophenyl)-3-propanoylpiperidin-2-one

Structural Information

Molecular Formula
C14H16FNO2
SMILES
CCC(=O)C1CCCN(C1=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C14H16FNO2/c1-2-13(17)12-7-4-8-16(14(12)18)11-6-3-5-10(15)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3
InChIKey
RHRGFTOXIOITPX-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3-propanoylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12378 155.2
[M+Na]+ 272.10572 161.8
[M-H]- 248.10922 158.8
[M+NH4]+ 267.15032 170.9
[M+K]+ 288.07966 158.3
[M+H-H2O]+ 232.11376 146.5
[M+HCOO]- 294.11470 172.7
[M+CH3COO]- 308.13035 195.1
[M+Na-2H]- 270.09117 156.4
[M]+ 249.11595 151.4
[M]- 249.11705 151.4
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.