CID 87285272

Dtxsid80904754

Structural Information

Molecular Formula
C4H2F8O4S
SMILES
C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F
InChI
InChI=1S/C4H2F8O4S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15)
InChIKey
JOYBOBIZKIJEDU-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

297.9546 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.96188 144.9
[M+Na]+ 320.94382 153.5
[M-H]- 296.94732 134.2
[M+NH4]+ 315.98842 158.8
[M+K]+ 336.91776 151.5
[M+H-H2O]+ 280.95186 134.6
[M+HCOO]- 342.95280 148.2
[M+CH3COO]- 356.96845 193.7
[M+Na-2H]- 318.92927 147.9
[M]+ 297.95405 136.2
[M]- 297.95515 136.2
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