CID 138396246

Dtxsid90893307

Structural Information

Molecular Formula
C16H10F20O7S
SMILES
C(C(C(=O)OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O)C(=O)OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H10F20O7S/c17-7(18)11(25,26)15(33,34)13(29,30)9(21,22)2-42-5(37)1-4(44(39,40)41)6(38)43-3-10(23,24)14(31,32)16(35,36)12(27,28)8(19)20/h4,7-8H,1-3H2,(H,39,40,41)
InChIKey
SMYCZXRGAHDQNG-UHFFFAOYSA-N
Compound name
1,4-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

725.9828 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.99008 153.4
[M+Na]+ 748.97202 153.4
[M+NH4]+ 744.01662 153.4
[M+K]+ 764.94596 153.5
[M-H]- 724.97552 153.4
[M+Na-2H]- 746.95747 153.3
[M]+ 725.98225 153.4
[M]- 725.98335 153.4
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

No patent data available for this compound.