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
2
Annotation Hits

0
References

9
Patents

581.88995 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.897226 177.7
[M+Na]+ 604.879168 179.8
[M-H]- 580.882674 186.0
[M+NH4]+ 599.923773 189.9
[M+K]+ 620.853108 189.6
[M+H-H2O]+ 564.887210 165.8
[M+HCOO]- 626.888151 199.2
[M+CH3COO]- 640.903801 238.4
[M+Na-2H]- 602.864616 176.6
[M]+ 581.88940142 182.2
[M]- 581.89049858 182.2
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