CID 100959

Butyltintris(2-octanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C34H66O6S3Sn
SMILES
CCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCC)SCCOC(=O)CCCCCCC
InChI
InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-10(11)12-8-9-13;1-3-4-2;/h3*13H,2-9H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
FXMZXUNYBBSBCI-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.3044 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.31168 304.3
[M+Na]+ 809.29362 303.4
[M-H]- 785.29712 284.8
[M+NH4]+ 804.33822 307.9
[M+K]+ 825.26756 309.1
[M+H-H2O]+ 769.30166 302.0
[M+HCOO]- 831.30260 304.6
[M+CH3COO]- 845.31825 273.0
[M+Na-2H]- 807.27907 282.7
[M]+ 786.30385 307.0
[M]- 786.30495 307.0
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.