CID 16684535

Bis(nonanoyloxy)dioctylstannane

Structural Information

Molecular Formula
C34H68O4Sn
SMILES
CCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCC
InChI
InChI=1S/2C9H18O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;2*1-3-5-7-8-6-4-2;/h2*2-8H2,1H3,(H,10,11);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
CNOYGLBMMNHEMH-UHFFFAOYSA-L
Compound name
[nonanoyloxy(dioctyl)stannyl] nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

660.41394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.42122 253.0
[M+Na]+ 683.40316 254.1
[M+NH4]+ 678.44776 254.2
[M+K]+ 699.37710 252.9
[M-H]- 659.40666 237.2
[M+Na-2H]- 681.38861 252.0
[M]+ 660.41339 248.9
[M]- 660.41449 248.9
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

patents stripe