CID 168507

Butyltintris(laurylmercapto acetate)

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 327.8
[M+Na]+ 977.48142 334.1
[M+NH4]+ 972.52602 331.3
[M+K]+ 993.45536 329.4
[M-H]- 953.48492 310.8
[M+Na-2H]- 975.46687 322.6
[M]+ 954.49165 325.5
[M]- 954.49275 325.5
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.