CID 53424573

Dtxsid401100184

Structural Information

Molecular Formula
C40H66O12Sn
SMILES
CCCCC(CC)COC(=O)C=CC(=O)O[Sn](CCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)OC(=O)C=CC(=O)OCC(CC)CCCC
InChI
InChI=1S/3C12H20O4.C4H9.Sn/c3*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-3-4-2;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
VMAPEMHOENECMC-UHFFFAOYSA-K
Compound name
4-O-[butyl-bis[[4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy]stannyl] 1-O-(2-ethylhexyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

858.3576 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.364876 299.2
[M+Na]+ 881.346818 307.5
[M-H]- 857.350324 305.1
[M+NH4]+ 876.391423 322.4
[M+K]+ 897.320758 311.9
[M+H-H2O]+ 841.354860 302.5
[M+HCOO]- 903.355801 292.2
[M+CH3COO]- 917.371451 287.6
[M+Na-2H]- 879.332266 284.4
[M]+ 858.35705142 302.9
[M]- 858.35814858 302.9
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.