CID 121654

1-piperazinemethanol, alpha,alpha-bis(trifluoromethyl)-, hydrate

Structural Information

Molecular Formula
C7H10F6N2O
SMILES
C1CN(CCN1)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C7H10F6N2O/c8-6(9,10)5(16,7(11,12)13)15-3-1-14-2-4-15/h14,16H,1-4H2
InChIKey
KGWRSFSBMKLPDE-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-piperazin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06973 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07701 150.7
[M+Na]+ 275.05895 156.7
[M-H]- 251.06245 140.6
[M+NH4]+ 270.10355 163.2
[M+K]+ 291.03289 153.2
[M+H-H2O]+ 235.06699 140.1
[M+HCOO]- 297.06793 154.9
[M+CH3COO]- 311.08358 185.8
[M+Na-2H]- 273.04440 154.8
[M]+ 252.06918 135.0
[M]- 252.07028 135.0
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

No patent data available for this compound.