CID 100961

59118-93-3

Structural Information

Molecular Formula

C₃₄H₆₆O₆S₃Sn

SMILES

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

InChI

InChI=1S/3C11H22O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-11(12)13-9-10-14;;/h3*14H,2-10H2,1H3;1H3;/q;;;;+3/p-3

InChIKey

OMEJTPMPMHOZBW-UHFFFAOYSA-K

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 786.3044 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]+	787.311676	304.3
[M+Na]+	809.293618	303.4
[M-H]-	785.297124	284.8
[M+NH4]+	804.338223	307.9
[M+K]+	825.267558	309.1
[M+H-H2O]+	769.301660	302.0
[M+HCOO]-	831.302601	304.6
[M+CH3COO]-	845.318251	273.0
[M+Na-2H]-	807.279066	282.7
[M]+	786.30385142	307.0
[M]-	786.30494858	307.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe