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
4
Annotation Hits

0
References

2898
Patents

640.2642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.271476 272.7
[M+Na]+ 663.253418 276.1
[M-H]- 639.256924 257.9
[M+NH4]+ 658.298023 277.5
[M+K]+ 679.227358 279.3
[M+H-H2O]+ 623.261460 271.8
[M+HCOO]- 685.262401 273.8
[M+CH3COO]- 699.278051 253.4
[M+Na-2H]- 661.238866 255.6
[M]+ 640.26365142 274.8
[M]- 640.26474858 274.8
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