CID 44145649

Bis(isononanoyloxy)dioctylstannane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.41394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.42122 268.5
[M+Na]+ 683.40316 275.5
[M-H]- 659.40666 258.7
[M+NH4]+ 678.44776 275.8
[M+K]+ 699.37710 278.8
[M+H-H2O]+ 643.41120 268.3
[M+HCOO]- 705.41214 270.7
[M+CH3COO]- 719.42779 264.1
[M+Na-2H]- 681.38861 252.9
[M]+ 660.41339 268.3
[M]- 660.41449 268.3
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

No patent data available for this compound.