CID 108539

Butyltintris(2-ethylhexyl 3-mercaptopropionate)

Structural Information

Molecular Formula
C37H72O6S3Sn
SMILES
CCCCC(CC)COC(=O)CCS[Sn](CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-3-5-6-10(4-2)9-13-11(12)7-8-14;1-3-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
WMEIKWMPSNOSKG-UHFFFAOYSA-K
Compound name
2-ethylhexyl 3-[butyl-bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

828.3513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.35858 314.0
[M+Na]+ 851.34052 314.1
[M-H]- 827.34402 297.9
[M+NH4]+ 846.38512 322.1
[M+K]+ 867.31446 322.4
[M+H-H2O]+ 811.34856 313.1
[M+HCOO]- 873.34950 306.5
[M+CH3COO]- 887.36515 282.2
[M+Na-2H]- 849.32597 293.0
[M]+ 828.35075 317.3
[M]- 828.35185 317.3
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.