CID 168509882

6:2/6:2 ftmap sulfone

Structural Information

Molecular Formula
C21H17F26O6PS2
SMILES
C1C(COP(=O)(O1)O)(CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C21H17F26O6PS2/c22-10(23,12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)1-3-55-7-9(5-52-54(48,49)53-6-9)8-56(50,51)4-2-11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h1-8H2,(H,48,49)
InChIKey
HDAAYYKYMTUWKT-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanylmethyl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylmethyl)-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

953.9789 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 954.98618 152.6
[M+Na]+ 976.96812 152.6
[M+NH4]+ 972.01272 152.6
[M+K]+ 992.94206 152.6
[M-H]- 952.97162 152.6
[M+Na-2H]- 974.95357 152.6
[M]+ 953.97835 152.6
[M]- 953.97945 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.