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]+ 450.94795 175.9
[M+Na]+ 472.92989 164.3
[M-H]- 448.93339 164.0
[M+NH4]+ 467.97449 168.7
[M+K]+ 488.90383 182.0
[M+H-H2O]+ 432.93793 160.9
[M+HCOO]- 494.93887 178.9
[M+CH3COO]- 508.95452 223.4
[M+Na-2H]- 470.91534 177.9
[M]+ 449.94012 159.7
[M]- 449.94122 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