CID 16684273

68725-15-5

Structural Information

Molecular Formula

C₁₄H₃₂O₃SSn

SMILES

CCCC[Sn](CCCC)(CCCC)OS(=O)(=O)CC

InChI

InChI=1S/3C4H9.C2H6O3S.Sn/c3*1-3-4-2;1-2-6(3,4)5;/h3*1,3-4H2,2H3;2H2,1H3,(H,3,4,5);/q;;;;+1/p-1

InChIKey

MNYWFHSJKOGEFX-UHFFFAOYSA-M

Compound name

tributylstannyl ethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 400.1094 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]+	401.11668	194.8
[M+Na]+	423.09862	198.4
[M-H]-	399.10212	193.1
[M+NH4]+	418.14322	209.9
[M+K]+	439.07256	195.2
[M+H-H2O]+	383.10666	187.9
[M+HCOO]-	445.10760	207.1
[M+CH3COO]-	459.12325	207.1
[M+Na-2H]-	421.08407	193.5
[M]+	400.10885	203.5
[M]-	400.10995	203.5

Literature stripe

literature stripe

Patent stripe

patents stripe