CID 94370

26401-86-5

Structural Information

Molecular Formula
C38H74O6S3Sn
SMILES
CCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/3C10H20O2S.C8H17.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3
InChIKey
GNJDFZSTSXEBCH-UHFFFAOYSA-K
Compound name
6-methylheptyl 2-[bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

842.36694 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 843.37422 304.2
[M+Na]+ 865.35616 311.2
[M+NH4]+ 860.40076 310.3
[M+K]+ 881.33010 305.3
[M-H]- 841.35966 293.0
[M+Na-2H]- 863.34161 302.3
[M]+ 842.36639 303.5
[M]- 842.36749 303.5
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

patents stripe