PubChemLite - 34871-84-6 (C48H94O8S5Sn2)

Structural Information

Molecular Formula

SMILES

CCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)S[Sn](CCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C

InChI

InChI=1S/4C10H20O2S.2C4H9.S.2Sn/c4*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-4-2;;;/h4*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;;;/q;;;;;;;2*+2/p-4

InChIKey

JBIHPINCMVUMEK-UHFFFAOYSA-J

Compound name

6-methylheptyl 2-[butyl-[butyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate

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]+	1199.3669	366.1
[M+Na]+	1221.3488	361.1
[M-H]-	1197.3523	348.4
[M+NH4]+	1216.3934	377.2
[M+K]+	1237.3228	376.9
[M+H-H2O]+	1181.3569	363.4
[M+HCOO]-	1243.3578	350.5
[M+CH3COO]-	1257.3735	313.4
[M+Na-2H]-	1219.3343	341.7
[M]+	1198.3591	372.6
[M]-	1198.3601	372.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1199.3669

366.1

[M+Na]+

1221.3488

361.1

[M-H]-

1197.3523

348.4

[M+NH4]+

1216.3934

377.2

[M+K]+

1237.3228

376.9

[M+H-H2O]+

1181.3569

363.4

[M+HCOO]-

1243.3578

350.5

[M+CH3COO]-

1257.3735

313.4

[M+Na-2H]-

1219.3343

341.7

[M]+

1198.3591

372.6

[M]-

1198.3601

372.6

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

34871-84-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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