CID 168509898

6:2/8:2 ftmap disulfoxide/sulfone

Structural Information

Molecular Formula
C23H17F30O6PS2
SMILES
C1C(COP(=O)(O1)O)(CS(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)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/C23H17F30O6PS2/c24-10(25,12(28,29)14(32,33)16(36,37)17(38,39)19(42,43)21(46,47)23(51,52)53)1-3-61(56)7-9(5-58-60(54,55)59-6-9)8-62(57)4-2-11(26,27)13(30,31)15(34,35)18(40,41)20(44,45)22(48,49)50/h1-8H2,(H,54,55)
InChIKey
WJUIIURMQNYLKB-UHFFFAOYSA-N
Compound name
5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfinylmethyl)-2-hydroxy-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

1053.9725 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1054.9798 271.1
[M+Na]+ 1076.9617 272.0
[M-H]- 1052.9652 283.7
[M+NH4]+ 1072.0063 285.8
[M+K]+ 1092.9357 287.4
[M+H-H2O]+ 1036.9698 256.7
[M+HCOO]- 1098.9707 286.2
[M+CH3COO]- 1112.9864 286.3
[M+Na-2H]- 1074.9472 266.6
[M]+ 1053.9720 271.7
[M]- 1053.9730 271.7
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.