CID 162396577

Dtxsid201033286

Structural Information

Molecular Formula
C19H28F8O8S
SMILES
CCCCCCCCOCCOC(=O)CC(C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C19H28F8O8S/c1-2-3-4-5-6-7-8-33-9-10-34-14(28)11-13(36(30,31)32)15(29)35-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,2-12H2,1H3,(H,30,31,32)
InChIKey
OIVJMJVRCNWIBI-UHFFFAOYSA-N
Compound name
1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(2-octoxyethoxy)-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

568.1377 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.14498 207.7
[M+Na]+ 591.12692 211.3
[M-H]- 567.13042 210.6
[M+NH4]+ 586.17152 219.4
[M+K]+ 607.10086 215.6
[M+H-H2O]+ 551.13496 203.2
[M+HCOO]- 613.13590 215.5
[M+CH3COO]- 627.15155 243.4
[M+Na-2H]- 589.11237 198.8
[M]+ 568.13715 208.2
[M]- 568.13825 208.2
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

No patent data available for this compound.