CID 9577625

50788-67-5

Structural Information

Molecular Formula
C38H76O4S2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C11H22O2S.2C8H17.Sn/c2*1-10(2)6-4-3-5-8-13-11(12)7-9-14;2*1-3-5-7-8-6-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
DLSNCIMATOOTPT-UHFFFAOYSA-L
Compound name
6-methylheptyl 3-[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl-dioctylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

780.4207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.427976 307.0
[M+Na]+ 803.409918 308.7
[M-H]- 779.413424 288.6
[M+NH4]+ 798.454523 311.7
[M+K]+ 819.383858 316.0
[M+H-H2O]+ 763.417960 305.0
[M+HCOO]- 825.418901 304.3
[M+CH3COO]- 839.434551 280.1
[M+Na-2H]- 801.395366 285.6
[M]+ 780.42015142 308.7
[M]- 780.42124858 308.7
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.