CID 9576175

Einecs 261-645-3

Structural Information

Molecular Formula
C38H76O4S2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C11H22O2S.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-5-7-8-6-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
AABSCORIAJETCY-UHFFFAOYSA-L
Compound name
2-ethylhexyl 3-[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-dioctylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

780.4207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.42798 307.0
[M+Na]+ 803.40992 308.7
[M-H]- 779.41342 288.6
[M+NH4]+ 798.45452 311.7
[M+K]+ 819.38386 316.0
[M+H-H2O]+ 763.41796 305.0
[M+HCOO]- 825.41890 304.3
[M+CH3COO]- 839.43455 280.1
[M+Na-2H]- 801.39537 285.6
[M]+ 780.42015 308.7
[M]- 780.42125 308.7
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.