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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	582.947826	176.8
[M+Na]+	604.929768	180.2
[M-H]-	580.933274	184.9
[M+NH4]+	599.974373	188.1
[M+K]+	620.903708	190.9
[M+H-H2O]+	564.937810	164.9
[M+HCOO]-	626.938751	197.4
[M+CH3COO]-	640.954401	244.3
[M+Na-2H]-	602.915216	176.5
[M]+	581.94000142	178.1
[M]-	581.94109858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.