CID 168507

26292-98-8

Structural Information

Molecular Formula
C46H90O6S3Sn
SMILES
CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/3C14H28O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-4-2;/h3*17H,2-13H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
XGQTTWHUFMHJMA-UHFFFAOYSA-K
Compound name
dodecyl 2-[butyl-bis[(2-dodecoxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

954.4922 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 955.49948 342.9
[M+Na]+ 977.48142 340.2
[M-H]- 953.48492 319.4
[M+NH4]+ 972.52602 346.5
[M+K]+ 993.45536 350.5
[M+H-H2O]+ 937.48946 339.5
[M+HCOO]- 999.49040 339.0
[M+CH3COO]- 1013.5061 302.4
[M+Na-2H]- 975.46687 316.7
[M]+ 954.49165 345.9
[M]- 954.49275 345.9
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.