CID 105885

Butyltintris(2-decanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C40H78O6S3Sn
SMILES
CCCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCCC)SCCOC(=O)CCCCCCCCC
InChI
InChI=1S/3C12H24O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-12(13)14-10-11-15;1-3-4-2;/h3*15H,2-11H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
COMMEQOKOLNNSJ-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-decanoyloxyethylsulfanyl)stannyl]sulfanylethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

870.39825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 871.40553 324.0
[M+Na]+ 893.38747 322.2
[M-H]- 869.39097 302.5
[M+NH4]+ 888.43207 327.6
[M+K]+ 909.36141 330.2
[M+H-H2O]+ 853.39551 321.2
[M+HCOO]- 915.39645 322.2
[M+CH3COO]- 929.41210 287.9
[M+Na-2H]- 891.37292 300.0
[M]+ 870.39770 326.7
[M]- 870.39880 326.7
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.