CID 24702811

1-(4-fluoro-2-methylphenyl)piperidin-4-one

Structural Information

Molecular Formula
C12H14FNO
SMILES
CC1=C(C=CC(=C1)F)N2CCC(=O)CC2
InChI
InChI=1S/C12H14FNO/c1-9-8-10(13)2-3-12(9)14-6-4-11(15)5-7-14/h2-3,8H,4-7H2,1H3
InChIKey
ILMQOZJYZVXWJK-UHFFFAOYSA-N
Compound name
1-(4-fluoro-2-methylphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

207.10594 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11322 147.5
[M+Na]+ 230.09516 160.6
[M+NH4]+ 225.13976 155.8
[M+K]+ 246.06910 153.1
[M-H]- 206.09866 150.1
[M+Na-2H]- 228.08061 154.4
[M]+ 207.10539 150.0
[M]- 207.10649 150.0
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