CID 44150164

93894-52-1

Structural Information

Molecular Formula
C8F18O5S2
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)S(=O)(=O)OS(=O)(=O)C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F
InChI
InChI=1S/C8F18O5S2/c9-1(3(11,12)13,4(14,15)16)7(23,24)32(27,28)31-33(29,30)8(25,26)2(10,5(17,18)19)6(20,21)22
InChIKey
DMRUAQMVQHUQQD-UHFFFAOYSA-N
Compound name
[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]sulfonyl 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

581.88995 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.89723 154.0
[M+Na]+ 604.87917 154.1
[M+NH4]+ 599.92377 154.2
[M+K]+ 620.85311 154.3
[M-H]- 580.88267 162.0
[M+Na-2H]- 602.86462 163.3
[M]+ 581.88940 154.1
[M]- 581.89050 154.1
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