CID 9571022

10584-98-2

Structural Information

Molecular Formula
C28H56O4S2Sn
SMILES
CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
PRIUALOJYOZZOJ-UHFFFAOYSA-L
Compound name
2-ethylhexyl 2-[dibutyl-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2482
Patents

640.2642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.27148 251.4
[M+Na]+ 663.25342 264.6
[M+NH4]+ 658.29802 262.2
[M+K]+ 679.22736 258.1
[M-H]- 639.25692 246.5
[M+Na-2H]- 661.23887 245.4
[M]+ 640.26365 256.6
[M]- 640.26475 256.6
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

patents stripe