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]+ 829.358576 294.8
[M+Na]+ 851.340518 294.4
[M-H]- 827.344024 286.6
[M+NH4]+ 846.385123 307.2
[M+K]+ 867.314458 306.6
[M+H-H2O]+ 811.348560 289.5
[M+HCOO]- 873.349501 290.6
[M+CH3COO]- 887.365151 281.2
[M+Na-2H]- 849.325966 276.8
[M]+ 828.35075142 303.5
[M]- 828.35184858 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.