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
3
Annotation Hits

0
References

1
Patents

828.3513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.358576 314.0
[M+Na]+ 851.340518 314.1
[M-H]- 827.344024 297.9
[M+NH4]+ 846.385123 322.1
[M+K]+ 867.314458 322.4
[M+H-H2O]+ 811.348560 313.1
[M+HCOO]- 873.349501 306.5
[M+CH3COO]- 887.365151 282.2
[M+Na-2H]- 849.325966 293.0
[M]+ 828.35075142 317.3
[M]- 828.35184858 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

patents stripe