CID 9576293

Dibutyltinbis(2-linoleoyloxyethylmercaptide)

Structural Information

Molecular Formula
C48H88O4S2Sn
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(CCCC)CCCC
InChI
InChI=1S/2C20H36O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;2*1-3-4-2;/h2*6-7,9-10,23H,2-5,8,11-19H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*7-6-,10-9-;;;
InChIKey
RVNSTKLBXTVZJQ-ZHEBOFABSA-L
Compound name
2-[dibutyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

912.5146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.521876 332.9
[M+Na]+ 935.503818 334.3
[M-H]- 911.507324 311.0
[M+NH4]+ 930.548423 335.4
[M+K]+ 951.477758 342.6
[M+H-H2O]+ 895.511860 328.9
[M+HCOO]- 957.512801 334.4
[M+CH3COO]- 971.528451 300.1
[M+Na-2H]- 933.489266 308.1
[M]+ 912.51405142 333.4
[M]- 912.51514858 333.4
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.