CID 16682980

Sodium timerfonate

Structural Information

Molecular Formula
C8H10HgO3S2
SMILES
CC[Hg]SC1=CC=C(C=C1)OS(=O)O
InChI
InChI=1S/C6H6O3S2.C2H5.Hg/c7-11(8)9-5-1-3-6(10)4-2-5;1-2;/h1-4,10H,(H,7,8);1H2,2H3;/q;;+1/p-1
InChIKey
NPWJLHGFBYDXDI-UHFFFAOYSA-M
Compound name
ethyl-(4-sulfinooxyphenyl)sulfanylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

419.97778 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98506 175.1
[M+Na]+ 442.96700 184.7
[M+NH4]+ 438.01160 182.4
[M+K]+ 458.94094 174.2
[M-H]- 418.97050 175.9
[M+Na-2H]- 440.95245 177.2
[M]+ 419.97723 177.4
[M]- 419.97833 177.4
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.