CID 3047926

Phenylmercurilauryl thioether

Structural Information

Molecular Formula
C36H58Hg2S
SMILES
C1=CC=C(C=C1)[Hg]CCCCCCCCCCCCSCCCCCCCCCCCC[Hg]C2=CC=CC=C2
InChI
InChI=1S/C24H48S.2C6H5.2Hg/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;2*1-2-4-6-5-3-1;;/h1-24H2;2*1-5H;;
InChIKey
VMEMQKRPERRBKE-UHFFFAOYSA-N
Compound name
phenyl-[12-[12-(phenylmercurio)dodecylsulfanyl]dodecyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

926.3672 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 927.37448 316.8
[M+Na]+ 949.35642 309.9
[M-H]- 925.35992 314.6
[M+NH4]+ 944.40102 317.2
[M+K]+ 965.33036 297.3
[M+H-H2O]+ 909.36446 300.6
[M+HCOO]- 971.36540 323.5
[M+CH3COO]- 985.38105 269.6
[M+Na-2H]- 947.34187 302.0
[M]+ 926.36665 325.7
[M]- 926.36775 325.7
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.