CID 168509893

Pchtzkwwbmtnmq-uhfffaoysa-n

Structural Information

Molecular Formula
C21H17F26O7PS2
SMILES
C1C(COP(=O)(O1)O)(CS(=O)CCC(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/C21H17F26O7PS2/c22-10(23,12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)1-3-56(50)7-9(5-53-55(48,49)54-6-9)8-57(51,52)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
PCHTZKWWBMTNMQ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfinylmethyl)-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

969.9738 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 970.98108 152.6
[M+Na]+ 992.96302 152.6
[M+NH4]+ 988.00762 152.6
[M+K]+ 1008.9370 152.6
[M-H]- 968.96652 152.6
[M+Na-2H]- 990.94847 152.6
[M]+ 969.97325 152.6
[M]- 969.97435 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.