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
2
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 162.3
[M+Na]+ 486.94555 167.6
[M-H]- 462.94905 167.1
[M+NH4]+ 481.99015 172.1
[M+K]+ 502.91949 185.6
[M+H-H2O]+ 446.95359 164.9
[M+HCOO]- 508.95453 181.9
[M+CH3COO]- 522.97018 226.5
[M+Na-2H]- 484.93100 181.7
[M]+ 463.95578 163.2
[M]- 463.95688 163.2
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