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

29
Patents

196.08235 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08963 140.9
[M+Na]+ 219.07157 146.3
[M-H]- 195.07507 135.5
[M+NH4]+ 214.11617 156.4
[M+K]+ 235.04551 144.0
[M+H-H2O]+ 179.07961 131.6
[M+HCOO]- 241.08055 152.2
[M+CH3COO]- 255.09620 178.3
[M+Na-2H]- 217.05702 144.2
[M]+ 196.08180 130.7
[M]- 196.08290 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe