CID 16777605

3,3,3-trifluoro-1-(piperazin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₁F₃N₂O

SMILES

C1CN(CCN1)C(=O)CC(F)(F)F

InChI

InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2

InChIKey

RUISULBDMIMYAZ-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 196.08235 Da
Monoisotopic Mass: 0.1
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]+	197.08963	145.3
[M+Na]+	219.07157	151.4
[M+NH4]+	214.11617	149.5
[M+K]+	235.04551	147.8
[M-H]-	195.07507	139.8
[M+Na-2H]-	217.05702	146.6
[M]+	196.08180	144.0
[M]-	196.08290	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe