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

15
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 144.3
[M+Na]+ 230.09516 151.9
[M-H]- 206.09866 148.2
[M+NH4]+ 225.13976 162.0
[M+K]+ 246.06910 148.4
[M+H-H2O]+ 190.10320 135.9
[M+HCOO]- 252.10414 163.1
[M+CH3COO]- 266.11979 186.9
[M+Na-2H]- 228.08061 147.7
[M]+ 207.10539 139.7
[M]- 207.10649 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