CID 3331281

5,5'-bis(chloromercuri)-2,2'-bithiophene

Structural Information

Molecular Formula
C8H4Cl2Hg2S2
SMILES
C1=C(SC(=C1)[Hg]Cl)C2=CC=C(S2)[Hg]Cl
InChI
InChI=1S/C8H4S2.2ClH.2Hg/c1-3-7(9-5-1)8-4-2-6-10-8;;;;/h1-4H;2*1H;;/q;;;2*+1/p-2
InChIKey
JNCCDAUQIIZOSO-UHFFFAOYSA-L
Compound name
chloro-[5-[5-(chloromercurio)thiophen-2-yl]thiophen-2-yl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.85443 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.86171 224.2
[M+Na]+ 660.84365 234.4
[M-H]- 636.84715 229.4
[M+NH4]+ 655.88825 243.3
[M+K]+ 676.81759 225.5
[M+H-H2O]+ 620.85169 217.3
[M+HCOO]- 682.85263 228.6
[M+CH3COO]- 696.86828 232.6
[M+Na-2H]- 658.82910 214.7
[M]+ 637.85388 231.6
[M]- 637.85498 231.6
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.