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

17
Patents

207.10594 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.113216 144.3
[M+Na]+ 230.095158 151.9
[M-H]- 206.098664 148.2
[M+NH4]+ 225.139763 162.0
[M+K]+ 246.069098 148.4
[M+H-H2O]+ 190.103200 135.9
[M+HCOO]- 252.104141 163.1
[M+CH3COO]- 266.119791 186.9
[M+Na-2H]- 228.080606 147.7
[M]+ 207.10539142 139.7
[M]- 207.10648858 139.7
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