Basic dibutyltin oleate (C52H102O5Sn2)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](O[Sn](OC(=O)CCCCCCC/C=C/CCCCCCCC)(CCCC)CCCC)(CCCC)CCCC

InChI

InChI=1S/2C18H34O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*10-9+;;;;;;;

InChIKey

KYKSFHCGJXUBOI-JRLUEHJLSA-L

Compound name

[dibutyl-[dibutyl-[(E)-octadec-9-enoyl]oxystannyl]oxystannyl] (E)-octadec-9-enoate

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]+	1047.584376	343.5
[M+Na]+	1069.566318	347.1
[M-H]-	1045.569824	328.4
[M+NH4]+	1064.610923	350.9
[M+K]+	1085.540258	357.7
[M+H-H2O]+	1029.574360	338.4
[M+HCOO]-	1091.575301	345.7
[M+CH3COO]-	1105.590951	316.2
[M+Na-2H]-	1067.551766	318.5
[M]+	1046.57655142	342.1
[M]-	1046.57764858	342.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1047.584376

343.5

[M+Na]+

1069.566318

347.1

[M-H]-

1045.569824

328.4

[M+NH4]+

1064.610923

350.9

[M+K]+

1085.540258

357.7

[M+H-H2O]+

1029.574360

338.4

[M+HCOO]-

1091.575301

345.7

[M+CH3COO]-

1105.590951

316.2

[M+Na-2H]-

1067.551766

318.5

[M]+

1046.57655142

342.1

[M]-

1046.57764858

342.1

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

Basic dibutyltin oleate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe