CID 55253120

3-(2,2,2-trifluoroethyl)piperazin-2-one

Structural Information

Molecular Formula
C6H9F3N2O
SMILES
C1CNC(=O)C(N1)CC(F)(F)F
InChI
InChI=1S/C6H9F3N2O/c7-6(8,9)3-4-5(12)11-2-1-10-4/h4,10H,1-3H2,(H,11,12)
InChIKey
CXBPUPPVBUBBKP-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0667 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07398 137.0
[M+Na]+ 205.05592 143.5
[M-H]- 181.05942 130.6
[M+NH4]+ 200.10052 152.6
[M+K]+ 221.02986 140.0
[M+H-H2O]+ 165.06396 128.3
[M+HCOO]- 227.06490 148.1
[M+CH3COO]- 241.08055 173.7
[M+Na-2H]- 203.04137 140.8
[M]+ 182.06615 125.7
[M]- 182.06725 125.7
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.