PubChemLite - 59118-79-5 (C61H114O6S3Sn)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)(SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)C

InChI

InChI=1S/3C20H38O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;/h3*9-10,23H,2-8,11-19H2,1H3;1H3;/q;;;;+3/p-3/b3*10-9-;;

InChIKey

ORBWXKGSLBJLGS-BQGNPDQISA-K

Compound name

2-[methyl-bis[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-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]+	1159.6872	381.6
[M+Na]+	1181.6691	378.4
[M-H]-	1157.6726	355.4
[M+NH4]+	1176.7137	386.0
[M+K]+	1197.6431	392.9
[M+H-H2O]+	1141.6772	377.2
[M+HCOO]-	1203.6781	375.0
[M+CH3COO]-	1217.6938	333.5
[M+Na-2H]-	1179.6546	351.6
[M]+	1158.6794	385.4
[M]-	1158.6804	385.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1159.6872

381.6

[M+Na]+

1181.6691

378.4

[M-H]-

1157.6726

355.4

[M+NH4]+

1176.7137

386.0

[M+K]+

1197.6431

392.9

[M+H-H2O]+

1141.6772

377.2

[M+HCOO]-

1203.6781

375.0

[M+CH3COO]-

1217.6938

333.5

[M+Na-2H]-

1179.6546

351.6

[M]+

1158.6794

385.4

[M]-

1158.6804

385.4

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

59118-79-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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