CID 16686126

Dioctyltin acetate

Structural Information

Molecular Formula

C₁₆H₃₄Sn

SMILES

CCCCCCCC[Sn+2]CCCCCCCC

InChI

InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/q;;+2

InChIKey

CUUYFCKLKOJXAN-UHFFFAOYSA-N

Compound name

dioctyltin(2+)

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4013
Patents: 346.16824 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]+	347.175516	190.9
[M+Na]+	369.157458	193.0
[M-H]-	345.160964	188.8
[M+NH4]+	364.202063	207.7
[M+K]+	385.131398	184.1
[M+H-H2O]+	329.165500	186.5
[M+HCOO]-	391.166441	209.7
[M+CH3COO]-	405.182091	198.4
[M+Na-2H]-	367.142906	192.0
[M]+	346.16769142	195.3
[M]-	346.16878858	195.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.