CID 45051437

1-(3-(3-fluorophenyl)-2-propenoyl)piperidine

Structural Information

Molecular Formula
C14H16FNO
SMILES
C1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C14H16FNO/c15-13-6-4-5-12(11-13)7-8-14(17)16-9-2-1-3-10-16/h4-8,11H,1-3,9-10H2/b8-7+
InChIKey
BTNSKNZABHFHQZ-BQYQJAHWSA-N
Compound name
(E)-3-(3-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1216 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12888 153.3
[M+Na]+ 256.11082 158.2
[M-H]- 232.11432 156.2
[M+NH4]+ 251.15542 169.3
[M+K]+ 272.08476 154.2
[M+H-H2O]+ 216.11886 144.3
[M+HCOO]- 278.11980 170.6
[M+CH3COO]- 292.13545 189.3
[M+Na-2H]- 254.09627 155.8
[M]+ 233.12105 147.1
[M]- 233.12215 147.1
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.