CID 9576703

70942-46-0

Structural Information

Molecular Formula
C42H84O4S2Sn
SMILES
CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/2C17H34O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-4-2;/h2*20H,2-16H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
ZOIIFFYQXPDJOK-UHFFFAOYSA-L
Compound name
tetradecyl 3-[dibutyl-(3-oxo-3-tetradecoxypropyl)sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

836.4833 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 837.49058 303.0
[M+Na]+ 859.47252 307.8
[M+NH4]+ 854.51712 304.6
[M+K]+ 875.44646 303.8
[M-H]- 835.47602 284.2
[M+Na-2H]- 857.45797 298.5
[M]+ 836.48275 299.3
[M]- 836.48385 299.3
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

patents stripe