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
2
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 216.8
[M+Na]+ 748.97202 219.5
[M-H]- 724.97552 230.0
[M+NH4]+ 744.01662 233.7
[M+K]+ 764.94596 232.3
[M+H-H2O]+ 708.98006 206.5
[M+HCOO]- 770.98100 224.3
[M+CH3COO]- 784.99665 261.9
[M+Na-2H]- 746.95747 213.2
[M]+ 725.98225 216.4
[M]- 725.98335 216.4
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.