CID 5748701

71426-89-6

Structural Information

Molecular Formula
C32H68O4P2S4
SMILES
CCCC[C@@H](CC)COP(=S)(OC[C@H](CC)CCCC)SSP(=S)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC
InChI
InChI=1S/C32H68O4P2S4/c1-9-17-21-29(13-5)25-33-37(39,34-26-30(14-6)22-18-10-2)41-42-38(40,35-27-31(15-7)23-19-11-3)36-28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3/t29-,30-,31-,32-/m1/s1
InChIKey
QYLZMVVJIYDVGG-SEVDZJIVSA-N
Compound name
[bis[(2R)-2-ethylhexoxy]phosphinothioyldisulfanyl]-bis[(2R)-2-ethylhexoxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

706.3476 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.35488 279.2
[M+Na]+ 729.33682 274.7
[M-H]- 705.34032 258.1
[M+NH4]+ 724.38142 282.6
[M+K]+ 745.31076 282.0
[M+H-H2O]+ 689.34486 264.0
[M+HCOO]- 751.34580 277.9
[M+CH3COO]- 765.36145 276.2
[M+Na-2H]- 727.32227 257.5
[M]+ 706.34705 282.9
[M]- 706.34815 282.9
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.