CID 24710437

821792-43-2

Structural Information

Molecular Formula
C12H12F3NO
SMILES
C1CN(CCC1=O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H12F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-5-9(17)6-8-16/h1-4H,5-8H2
InChIKey
PDLPWRJQBMLHBW-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.0871 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09438 151.2
[M+Na]+ 266.07632 158.4
[M-H]- 242.07982 152.2
[M+NH4]+ 261.12092 167.1
[M+K]+ 282.05026 154.5
[M+H-H2O]+ 226.08436 141.2
[M+HCOO]- 288.08530 166.2
[M+CH3COO]- 302.10095 191.0
[M+Na-2H]- 264.06177 154.7
[M]+ 243.08655 143.3
[M]- 243.08765 143.3
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.