CID 15080943

65220-86-2

Structural Information

Molecular Formula

C₇H₈F₃NO₂

SMILES

C1CN(CCC1=O)C(=O)C(F)(F)F

InChI

InChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4H2

InChIKey

LUOSNGFOANFUES-UHFFFAOYSA-N

Compound name

1-(2,2,2-trifluoroacetyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 195.05072 Da
Monoisotopic Mass: 0.3
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]+	196.057996	136.4
[M+Na]+	218.039938	143.5
[M-H]-	194.043444	134.4
[M+NH4]+	213.084543	154.3
[M+K]+	234.013878	142.1
[M+H-H2O]+	178.047980	128.2
[M+HCOO]-	240.048921	151.1
[M+CH3COO]-	254.064571	180.5
[M+Na-2H]-	216.025386	139.8
[M]+	195.05017142	128.8
[M]-	195.05126858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe