CID 9567862

Einecs 257-110-9

Structural Information

Molecular Formula
C38H76O4S2Sn
SMILES
CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/2C15H30O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-4-2;/h2*18H,2-14H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
MBSPJZOQJLVPBT-UHFFFAOYSA-L
Compound name
dodecyl 3-[dibutyl-(3-dodecoxy-3-oxopropyl)sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

780.4207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.427976 307.8
[M+Na]+ 803.409918 308.5
[M-H]- 779.413424 286.3
[M+NH4]+ 798.454523 309.3
[M+K]+ 819.383858 314.7
[M+H-H2O]+ 763.417960 304.6
[M+HCOO]- 825.418901 309.7
[M+CH3COO]- 839.434551 278.9
[M+Na-2H]- 801.395366 285.1
[M]+ 780.42015142 309.1
[M]- 780.42124858 309.1
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