CID 16684304

31045-95-1

Structural Information

Molecular Formula
C28H56O4S2Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)CSCCCCCC(C)C)OC(=O)CSCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-9(2)6-4-3-5-7-13-8-10(11)12;2*1-3-4-2;/h2*9H,3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
YSCDKUPSJMMGGT-UHFFFAOYSA-L
Compound name
[dibutyl-[2-(6-methylheptylsulfanyl)acetyl]oxystannyl] 2-(6-methylheptylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

674
Patents

640.2642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.271476 272.7
[M+Na]+ 663.253418 276.1
[M-H]- 639.256924 257.9
[M+NH4]+ 658.298023 277.5
[M+K]+ 679.227358 279.3
[M+H-H2O]+ 623.261460 271.8
[M+HCOO]- 685.262401 273.8
[M+CH3COO]- 699.278051 253.4
[M+Na-2H]- 661.238866 255.6
[M]+ 640.26365142 274.8
[M]- 640.26474858 274.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe