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

16
Patents

419.97778 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98506 181.5
[M+Na]+ 442.96700 187.2
[M-H]- 418.97050 181.9
[M+NH4]+ 438.01160 197.1
[M+K]+ 458.94094 182.0
[M+H-H2O]+ 402.97504 173.6
[M+HCOO]- 464.97598 191.0
[M+CH3COO]- 478.99163 191.9
[M+Na-2H]- 440.95245 178.5
[M]+ 419.97723 185.5
[M]- 419.97833 185.5
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.