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
1
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]+ 633.38998 261.8
[M+Na]+ 655.37192 269.1
[M-H]- 631.37542 252.7
[M+NH4]+ 650.41652 269.1
[M+K]+ 671.34586 271.5
[M+H-H2O]+ 615.37996 261.8
[M+HCOO]- 677.38090 264.7
[M+CH3COO]- 691.39655 258.5
[M+Na-2H]- 653.35737 247.0
[M]+ 632.38215 261.6
[M]- 632.38325 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.