CID 23081588

1-[4-(trifluoromethoxy)phenyl]piperidin-4-one

Structural Information

Molecular Formula
C12H12F3NO2
SMILES
C1CN(CCC1=O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C12H12F3NO2/c13-12(14,15)18-11-3-1-9(2-4-11)16-7-5-10(17)6-8-16/h1-4H,5-8H2
InChIKey
JYWJACOTBDYONF-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethoxy)phenyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

259.082 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08928 154.4
[M+Na]+ 282.07122 161.5
[M-H]- 258.07472 155.4
[M+NH4]+ 277.11582 169.6
[M+K]+ 298.04516 158.1
[M+H-H2O]+ 242.07926 144.2
[M+HCOO]- 304.08020 169.6
[M+CH3COO]- 318.09585 193.1
[M+Na-2H]- 280.05667 158.0
[M]+ 259.08145 147.9
[M]- 259.08255 147.9
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

patents stripe