CID 82085064

1225488-59-4

Structural Information

Molecular Formula

C₁₂H₁₂F₃NO

SMILES

C1CCN(C(=O)C1)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H12F3NO/c13-12(14,15)9-5-1-2-6-10(9)16-8-4-3-7-11(16)17/h1-2,5-6H,3-4,7-8H2

InChIKey

LZNNNAJNMMSIED-UHFFFAOYSA-N

Compound name

1-[2-(trifluoromethyl)phenyl]piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.0871 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe