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

106
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 135.1
[M+Na]+ 191.07665 140.5
[M-H]- 167.08015 128.3
[M+NH4]+ 186.12125 151.1
[M+K]+ 207.05059 137.1
[M+H-H2O]+ 151.08469 126.3
[M+HCOO]- 213.08563 145.8
[M+CH3COO]- 227.10128 171.4
[M+Na-2H]- 189.06210 139.6
[M]+ 168.08688 122.7
[M]- 168.08798 122.7
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

patents stripe