CID 44145464

Bis(isodecanoyloxy)dioctylstannane

Structural Information

Molecular Formula
C36H72O4Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CCCCCCC(C)C)OC(=O)CCCCCCC(C)C
InChI
InChI=1S/2C10H20O2.2C8H17.Sn/c2*1-9(2)7-5-3-4-6-8-10(11)12;2*1-3-5-7-8-6-4-2;/h2*9H,3-8H2,1-2H3,(H,11,12);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
AJIHCUXQHBUJSK-UHFFFAOYSA-L
Compound name
[8-methylnonanoyloxy(dioctyl)stannyl] 8-methylnonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

688.44525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.45253 260.8
[M+Na]+ 711.43447 261.6
[M+NH4]+ 706.47907 263.6
[M+K]+ 727.40841 260.9
[M-H]- 687.43797 246.7
[M+Na-2H]- 709.41992 259.7
[M]+ 688.44470 257.3
[M]- 688.44580 257.3
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