CID 16682772

16091-18-2

Structural Information

Molecular Formula
C20H36O4Sn
SMILES
CCCCCCCC[Sn]1(OC(=O)C=CC(=O)O1)CCCCCCCC
InChI
InChI=1S/2C8H17.C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2
InChIKey
PZGVVCOOWYSSGB-UHFFFAOYSA-L
Compound name
2,2-dioctyl-1,3,2-dioxastannepine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3991
Patents

460.16357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.17085 202.2
[M+Na]+ 483.15279 202.9
[M-H]- 459.15629 205.2
[M+NH4]+ 478.19739 212.6
[M+K]+ 499.12673 205.3
[M+H-H2O]+ 443.16083 194.7
[M+HCOO]- 505.16177 217.4
[M+CH3COO]- 519.17742 220.0
[M+Na-2H]- 481.13824 201.9
[M]+ 460.16302 206.5
[M]- 460.16412 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe