CID 9533921

1-(2,2,2-trifluoroethyl)piperazine

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C1CN(CCN1)CC(F)(F)F
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)5-11-3-1-10-2-4-11/h10H,1-5H2
InChIKey
GFPOCAYEKCWFPD-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1403
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 134.6
[M+Na]+ 191.07665 140.3
[M-H]- 167.08015 129.2
[M+NH4]+ 186.12125 151.3
[M+K]+ 207.05059 137.9
[M+H-H2O]+ 151.08469 125.4
[M+HCOO]- 213.08563 146.7
[M+CH3COO]- 227.10128 174.1
[M+Na-2H]- 189.06210 139.5
[M]+ 168.08688 124.0
[M]- 168.08798 124.0
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