CID 9576441

Einecs 269-560-3

Structural Information

Molecular Formula
C28H56O4S2Sn
SMILES
CCCCC(CC)C(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)C(CC)CCCC
InChI
InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)10(11)12-7-8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
OAHLLVVWVCDLAA-UHFFFAOYSA-L
Compound name
2-[dibutyl-[2-(2-ethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.2642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.27148 272.7
[M+Na]+ 663.25342 276.1
[M-H]- 639.25692 257.9
[M+NH4]+ 658.29802 277.5
[M+K]+ 679.22736 279.3
[M+H-H2O]+ 623.26146 271.8
[M+HCOO]- 685.26240 273.8
[M+CH3COO]- 699.27805 253.4
[M+Na-2H]- 661.23887 255.6
[M]+ 640.26365 274.8
[M]- 640.26475 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

No patent data available for this compound.