CID 86638305

1205020-79-6

Structural Information

Molecular Formula
C8H3F15O3S
SMILES
C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F15O3S/c9-2(4(12,13)14)3(10,11)1-26-27(24,25)8(22,23)6(17,18)5(15,16)7(19,20)21/h2H,1H2
InChIKey
DUNFVEYOBISODU-UHFFFAOYSA-N
Compound name
2,2,3,4,4,4-hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

463.95633 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.96361 171.1
[M+Na]+ 486.94555 171.0
[M+NH4]+ 481.99015 170.5
[M+K]+ 502.91949 170.6
[M-H]- 462.94905 168.3
[M+Na-2H]- 484.93100 170.3
[M]+ 463.95578 170.2
[M]- 463.95688 170.2
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

patents stripe