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

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 177.7
[M+Na]+ 604.87917 179.8
[M-H]- 580.88267 186.0
[M+NH4]+ 599.92377 189.9
[M+K]+ 620.85311 189.6
[M+H-H2O]+ 564.88721 165.8
[M+HCOO]- 626.88815 199.2
[M+CH3COO]- 640.90380 238.4
[M+Na-2H]- 602.86462 176.6
[M]+ 581.88940 182.2
[M]- 581.89050 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