CID 9576033

15571-58-1

Structural Information

Molecular Formula
C36H72O4S2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
VXGIVDFKZKMKQO-UHFFFAOYSA-L
Compound name
2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

359
Patents

752.3894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.39668 284.7
[M+Na]+ 775.37862 290.1
[M+NH4]+ 770.42322 288.2
[M+K]+ 791.35256 285.0
[M-H]- 751.38212 270.1
[M+Na-2H]- 773.36407 282.7
[M]+ 752.38885 282.2
[M]- 752.38995 282.2
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