CID 106657

Butanedioic acid, 2,2',2''-((butylstannylidyne)tris(thio))tris-, 1,1',1'',4,4',4''-hexabutyl ester

Structural Information

Molecular Formula
C40H72O12S3Sn
SMILES
CCCCOC(=O)CC(C(=O)OCCCC)S[Sn](CCCC)(SC(CC(=O)OCCCC)C(=O)OCCCC)SC(CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/3C12H22O4S.C4H9.Sn/c3*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;1-3-4-2;/h3*10,17H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
VVDYYHAMBNQVRC-UHFFFAOYSA-K
Compound name
dibutyl 2-[butyl-bis[(1,4-dibutoxy-1,4-dioxobutan-2-yl)sulfanyl]stannyl]sulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

960.3208 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.32808 340.9
[M+Na]+ 983.31002 340.6
[M-H]- 959.31352 333.6
[M+NH4]+ 978.35462 358.3
[M+K]+ 999.28396 349.5
[M+H-H2O]+ 943.31806 342.0
[M+HCOO]- 1005.3190 327.1
[M+CH3COO]- 1019.3347 296.0
[M+Na-2H]- 981.29547 319.2
[M]+ 960.32025 347.8
[M]- 960.32135 347.8
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.