CID 168509892

6:2/6:2 ftmap sulfoxide

Structural Information

Molecular Formula
C21H17F26O5PS2
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)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C21H17F26O5PS2/c22-10(23,12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)1-3-54-7-9(5-51-53(48,49)52-6-9)8-55(50)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
OYSUYMRFKUUMHB-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-tridecafluorooctylsulfinylmethyl)-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

937.984 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 938.99128 152.6
[M+Na]+ 960.97322 152.6
[M+NH4]+ 956.01782 152.6
[M+K]+ 976.94716 152.6
[M-H]- 936.97672 152.6
[M+Na-2H]- 958.95867 152.6
[M]+ 937.98345 152.6
[M]- 937.98455 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.