CID 98463141

924894-08-6

Structural Information

Molecular Formula
C10H2F20O3S
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(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/C10H2F20O3S/c11-2(12,3(13,14)4(15,16)5(17,18)8(23,24)25)1-33-34(31,32)10(29,30)7(21,22)6(19,20)9(26,27)28/h1H2
InChIKey
BQOLVFQIEAAHQR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

581.94055 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.94783 176.8
[M+Na]+ 604.92977 180.2
[M-H]- 580.93327 184.9
[M+NH4]+ 599.97437 188.1
[M+K]+ 620.90371 190.9
[M+H-H2O]+ 564.93781 164.9
[M+HCOO]- 626.93875 197.4
[M+CH3COO]- 640.95440 244.3
[M+Na-2H]- 602.91522 176.5
[M]+ 581.94000 178.1
[M]- 581.94110 178.1
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

No patent data available for this compound.