CID 14292220

118334-96-6

Structural Information

Molecular Formula
C7HF15O3S
SMILES
C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15O3S/c8-2(9,10)1(3(11,12)13)25-26(23,24)7(21,22)5(16,17)4(14,15)6(18,19)20/h1H
InChIKey
USGIGMPEVWTUKX-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

449.94067 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.947946 175.9
[M+Na]+ 472.929888 164.3
[M-H]- 448.933394 164.0
[M+NH4]+ 467.974493 168.7
[M+K]+ 488.903828 182.0
[M+H-H2O]+ 432.937930 160.9
[M+HCOO]- 494.938871 178.9
[M+CH3COO]- 508.954521 223.4
[M+Na-2H]- 470.915336 177.9
[M]+ 449.94012142 159.7
[M]- 449.94121858 159.7
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