CID 54215917

2-(2,2,2-trifluoroethyl)piperazine

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C1CNC(CN1)CC(F)(F)F
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)3-5-4-10-1-2-11-5/h5,10-11H,1-4H2
InChIKey
FAXXAILEMUPCBP-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

168.08743 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09471 138.5
[M+Na]+ 191.07665 145.0
[M+NH4]+ 186.12125 143.4
[M+K]+ 207.05059 140.8
[M-H]- 167.08015 133.4
[M+Na-2H]- 189.06210 140.4
[M]+ 168.08688 137.4
[M]- 168.08798 137.4
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