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

27
Patents

463.95633 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.963606 162.3
[M+Na]+ 486.945548 167.6
[M-H]- 462.949054 167.1
[M+NH4]+ 481.990153 172.1
[M+K]+ 502.919488 185.6
[M+H-H2O]+ 446.953590 164.9
[M+HCOO]- 508.954531 181.9
[M+CH3COO]- 522.970181 226.5
[M+Na-2H]- 484.930996 181.7
[M]+ 463.95578142 163.2
[M]- 463.95687858 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