CID 16685117

Dtxcid80426007

Structural Information

Molecular Formula

C₁₃H₂₇F₃O₃SSn

SMILES

CCCC[Sn](CCCC)(CCCC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/3C4H9.CHF3O3S.Sn/c3*1-3-4-2;2-1(3,4)8(5,6)7;/h3*1,3-4H2,2H3;(H,5,6,7);/q;;;;+1/p-1

InChIKey

LIQOILBASIAIQC-UHFFFAOYSA-M

Compound name

tributylstannyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 440.0655 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]+	441.07278	197.5
[M+Na]+	463.05472	201.8
[M-H]-	439.05822	192.0
[M+NH4]+	458.09932	210.7
[M+K]+	479.02866	198.2
[M+H-H2O]+	423.06276	188.3
[M+HCOO]-	485.06370	205.4
[M+CH3COO]-	499.07935	212.0
[M+Na-2H]-	461.04017	196.2
[M]+	440.06495	201.3
[M]-	440.06605	201.3

Literature stripe

literature stripe

Patent stripe

patents stripe