CID 16684359

Ethylmercury toluenesulfonate

Structural Information

Molecular Formula
C9H12HgO3S
SMILES
CC[Hg]OS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C7H8O3S.C2H5.Hg/c1-6-2-4-7(5-3-6)11(8,9)10;1-2;/h2-5H,1H3,(H,8,9,10);1H2,2H3;/q;;+1/p-1
InChIKey
ALFOXUAXXFZBMH-UHFFFAOYSA-M
Compound name
ethyl-(4-methylphenyl)sulfonyloxymercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.02136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.02864 175.5
[M+Na]+ 425.01058 186.4
[M+NH4]+ 420.05518 182.5
[M+K]+ 440.98452 177.2
[M-H]- 401.01408 176.0
[M+Na-2H]- 422.99603 178.9
[M]+ 402.02081 177.6
[M]- 402.02191 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.