CID 44147016

93894-55-4

Structural Information

Molecular Formula
C8H2F16O5S2
SMILES
C(C(C(C(F)(F)S(=O)(=O)OS(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F16O5S2/c9-1(10)3(13,14)5(17,18)7(21,22)30(25,26)29-31(27,28)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H
InChIKey
PKXOFTHSSGMAGM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluorobutylsulfonyl 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

545.9088 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.91608 178.3
[M+Na]+ 568.89802 181.4
[M-H]- 544.90152 185.1
[M+NH4]+ 563.94262 190.9
[M+K]+ 584.87196 189.8
[M+H-H2O]+ 528.90606 169.2
[M+HCOO]- 590.90700 195.2
[M+CH3COO]- 604.92265 236.1
[M+Na-2H]- 566.88347 176.3
[M]+ 545.90825 181.3
[M]- 545.90935 181.3
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.