CID 56842706

Bis(isooctanoyloxy)dioctylstannane

Structural Information

Molecular Formula
C32H64O4Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CCCCC(C)C)OC(=O)CCCCC(C)C
InChI
InChI=1S/2C8H16O2.2C8H17.Sn/c2*1-7(2)5-3-4-6-8(9)10;2*1-3-5-7-8-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
CDEXOKIIOQEULQ-UHFFFAOYSA-L
Compound name
[6-methylheptanoyloxy(dioctyl)stannyl] 6-methylheptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

632.3827 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.389976 261.8
[M+Na]+ 655.371918 269.1
[M-H]- 631.375424 252.7
[M+NH4]+ 650.416523 269.1
[M+K]+ 671.345858 271.5
[M+H-H2O]+ 615.379960 261.8
[M+HCOO]- 677.380901 264.7
[M+CH3COO]- 691.396551 258.5
[M+Na-2H]- 653.357366 247.0
[M]+ 632.38215142 261.6
[M]- 632.38324858 261.6
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.