CID 109986

Butyltintris(2-nonanoyloxyethylmercaptide)

Structural Information

Molecular Formula

C₃₇H₇₂O₆S₃Sn

SMILES

CCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCC)SCCOC(=O)CCCCCCCC

InChI

InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-11(12)13-9-10-14;1-3-4-2;/h3*14H,2-10H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3

InChIKey

CMTHBFGXMJZQBS-UHFFFAOYSA-K

Compound name

2-[butyl-bis(2-nonanoyloxyethylsulfanyl)stannyl]sulfanylethyl nonanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 828.3513 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

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]+	829.358576	314.2
[M+Na]+	851.340518	312.9
[M-H]-	827.344024	293.7
[M+NH4]+	846.385123	317.8
[M+K]+	867.314458	319.8
[M+H-H2O]+	811.348560	311.7
[M+HCOO]-	873.349501	313.5
[M+CH3COO]-	887.365151	280.5
[M+Na-2H]-	849.325966	291.5
[M]+	828.35075142	316.9
[M]-	828.35184858	316.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.