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

literature stripe

Patent stripe

patents stripe