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 181.4
[M+Na]+ 425.01058 188.5
[M-H]- 401.01408 184.0
[M+NH4]+ 420.05518 198.7
[M+K]+ 440.98452 185.0
[M+H-H2O]+ 385.01862 173.8
[M+HCOO]- 447.01956 197.7
[M+CH3COO]- 461.03521 191.6
[M+Na-2H]- 422.99603 182.0
[M]+ 402.02081 186.6
[M]- 402.02191 186.6
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.