CID 6447491

Brn 4417182

Structural Information

Molecular Formula
C15H18FNO
SMILES
C/C(=C/C(=O)C1=CC(=CC=C1)F)/N2CCCCC2
InChI
InChI=1S/C15H18FNO/c1-12(17-8-3-2-4-9-17)10-15(18)13-6-5-7-14(16)11-13/h5-7,10-11H,2-4,8-9H2,1H3/b12-10-
InChIKey
HWGRRKFWBDCZAS-BENRWUELSA-N
Compound name
(Z)-1-(3-fluorophenyl)-3-piperidin-1-ylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13724 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14452 160.2
[M+Na]+ 270.12646 171.2
[M+NH4]+ 265.17106 167.4
[M+K]+ 286.10040 164.2
[M-H]- 246.12996 161.8
[M+Na-2H]- 268.11191 165.9
[M]+ 247.13669 161.9
[M]- 247.13779 161.9
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.