PubChemLite - Dibutyltinbis(2-linoleoyloxyethylmercaptide) (C48H88O4S2Sn)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	913.52188	332.9
[M+Na]+	935.50382	334.3
[M-H]-	911.50732	311.0
[M+NH4]+	930.54842	335.4
[M+K]+	951.47776	342.6
[M+H-H2O]+	895.51186	328.9
[M+HCOO]-	957.51280	334.4
[M+CH3COO]-	971.52845	300.1
[M+Na-2H]-	933.48927	308.1
[M]+	912.51405	333.4
[M]-	912.51515	333.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

913.52188

332.9

[M+Na]+

935.50382

334.3

[M-H]-

911.50732

311.0

[M+NH4]+

930.54842

335.4

[M+K]+

951.47776

342.6

[M+H-H2O]+

895.51186

328.9

[M+HCOO]-

957.51280

334.4

[M+CH3COO]-

971.52845

300.1

[M+Na-2H]-

933.48927

308.1

[M]+

912.51405

333.4

[M]-

912.51515

333.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dibutyltinbis(2-linoleoyloxyethylmercaptide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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