CID 65803164

1-[2-(trifluoromethoxy)ethyl]piperazine dihydrochloride

Structural Information

Molecular Formula
C7H13F3N2O
SMILES
C1CN(CCN1)CCOC(F)(F)F
InChI
InChI=1S/C7H13F3N2O/c8-7(9,10)13-6-5-12-3-1-11-2-4-12/h11H,1-6H2
InChIKey
HOTSQGXHRPAFMY-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethoxy)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

198.09799 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10527 142.0
[M+Na]+ 221.08721 147.3
[M-H]- 197.09071 136.4
[M+NH4]+ 216.13181 157.5
[M+K]+ 237.06115 145.0
[M+H-H2O]+ 181.09525 132.5
[M+HCOO]- 243.09619 154.1
[M+CH3COO]- 257.11184 179.1
[M+Na-2H]- 219.07266 146.5
[M]+ 198.09744 133.3
[M]- 198.09854 133.3
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