CID 9576216

Dibutyltinbis(2-ethylhexyl 3-mercaptopropionate)

Structural Information

Molecular Formula
C30H60O4S2Sn
SMILES
CCCCC(CC)COC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C11H22O2S.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
RFPITRAFRHNSRB-UHFFFAOYSA-L
Compound name
2-ethylhexyl 3-[dibutyl-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

668.29553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.30281 279.7
[M+Na]+ 691.28475 282.8
[M-H]- 667.28825 264.3
[M+NH4]+ 686.32935 284.5
[M+K]+ 707.25869 286.8
[M+H-H2O]+ 651.29279 278.6
[M+HCOO]- 713.29373 280.1
[M+CH3COO]- 727.30938 258.9
[M+Na-2H]- 689.27020 261.7
[M]+ 668.29498 281.7
[M]- 668.29608 281.7
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

patents stripe