CID 109279

Einecs 269-567-1

Structural Information

Molecular Formula
C37H72O6S3Sn
SMILES
CCCC[Sn](SCCOC(=O)CC(C)CC(C)(C)C)(SCCOC(=O)CC(C)CC(C)(C)C)SCCOC(=O)CC(C)CC(C)(C)C
InChI
InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-9(8-11(2,3)4)7-10(12)13-5-6-14;1-3-4-2;/h3*9,14H,5-8H2,1-4H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
DSPHQOAUZNUHDJ-UHFFFAOYSA-K
Compound name
2-[butyl-bis[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.3513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.35858 294.8
[M+Na]+ 851.34052 294.4
[M-H]- 827.34402 286.6
[M+NH4]+ 846.38512 307.2
[M+K]+ 867.31446 306.6
[M+H-H2O]+ 811.34856 289.5
[M+HCOO]- 873.34950 290.6
[M+CH3COO]- 887.36515 281.2
[M+Na-2H]- 849.32597 276.8
[M]+ 828.35075 303.5
[M]- 828.35185 303.5
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.