CID 9604602

2781-09-1

Structural Information

Molecular Formula
C28H56O4S2Sn
SMILES
CCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCC
InChI
InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-12-10(11)9-13;2*1-3-4-2;/h2*13H,2-9H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
DXOBKWDLTMLJLX-UHFFFAOYSA-L
Compound name
octyl 2-[dibutyl-(2-octoxy-2-oxoethyl)sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

640.2642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.271476 273.3
[M+Na]+ 663.253418 275.6
[M-H]- 639.256924 255.4
[M+NH4]+ 658.298023 275.0
[M+K]+ 679.227358 277.9
[M+H-H2O]+ 623.261460 247.5
[M+HCOO]- 685.262401 278.9
[M+CH3COO]- 699.278051 252.1
[M+Na-2H]- 661.238866 254.8
[M]+ 640.26365142 275.1
[M]- 640.26474858 275.1
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