CID 162396497

Dtxsid101033140

Structural Information

Molecular Formula
C9H4F16O5S
SMILES
C(C(F)(F)F)OC(C(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)O)(F)F)F)(F)F)F)(F)F
InChI
InChI=1S/C9H4F16O5S/c10-2(4(14,15)28-1-3(11,12)13)29-7(20,21)5(16,6(17,18)19)30-8(22,23)9(24,25)31(26)27/h2H,1H2,(H,26,27)
InChIKey
WBPCFTHBKCVHBD-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,2,2-trifluoro-2-(2,2,2-trifluoroethoxy)ethoxy]propan-2-yl]oxyethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.9524 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.95968 166.7
[M+Na]+ 550.94162 166.5
[M+NH4]+ 545.98622 166.2
[M+K]+ 566.91556 166.6
[M-H]- 526.94512 164.5
[M+Na-2H]- 548.92707 166.4
[M]+ 527.95185 166.0
[M]- 527.95295 166.0
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.