CID 67612876

4-(2,2,2-trifluoroethyl)piperazin-2-one

Structural Information

Molecular Formula
C6H9F3N2O
SMILES
C1CN(CC(=O)N1)CC(F)(F)F
InChI
InChI=1S/C6H9F3N2O/c7-6(8,9)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12)
InChIKey
HFTRDEFTLFGKQB-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.0667 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07398 136.3
[M+Na]+ 205.05592 143.3
[M-H]- 181.05942 131.3
[M+NH4]+ 200.10052 152.6
[M+K]+ 221.02986 140.6
[M+H-H2O]+ 165.06396 127.4
[M+HCOO]- 227.06490 148.9
[M+CH3COO]- 241.08055 176.3
[M+Na-2H]- 203.04137 140.6
[M]+ 182.06615 126.8
[M]- 182.06725 126.8
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

patents stripe