CID 16684163

Einecs 263-501-5

Structural Information

Molecular Formula
C25H48O6Sn
SMILES
CCCCC(CC)C(=O)O[Sn](C)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/3C8H16O2.CH3.Sn/c3*1-3-5-6-7(4-2)8(9)10;;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3;/q;;;;+3/p-3
InChIKey
LFDJCUAHUKKNKM-UHFFFAOYSA-K
Compound name
[bis(2-ethylhexanoyloxy)-methylstannyl] 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

564.2473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.25458 238.5
[M+Na]+ 587.23652 247.6
[M-H]- 563.24002 237.2
[M+NH4]+ 582.28112 251.0
[M+K]+ 603.21046 247.7
[M+H-H2O]+ 547.24456 240.9
[M+HCOO]- 609.24550 240.4
[M+CH3COO]- 623.26115 242.5
[M+Na-2H]- 585.22197 227.9
[M]+ 564.24675 239.1
[M]- 564.24785 239.1
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