CID 416356

Dimethylcarbamothioylsulfanyl(phenyl)mercury

Structural Information

Molecular Formula
C9H11HgNS2
SMILES
CN(C)C(=S)S[Hg]C1=CC=CC=C1
InChI
InChI=1S/C6H5.C3H7NS2.Hg/c1-2-4-6-5-3-1;1-4(2)3(5)6;/h1-5H;1-2H3,(H,5,6);/q;;+1/p-1
InChIKey
FDIYOTSIIQEQSA-UHFFFAOYSA-M
Compound name
dimethylcarbamothioylsulfanyl(phenyl)mercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

978
Patents

399.00394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.011216 179.4
[M+Na]+ 421.993158 184.5
[M-H]- 397.996664 182.5
[M+NH4]+ 417.037763 197.1
[M+K]+ 437.967098 179.8
[M+H-H2O]+ 382.001200 170.9
[M+HCOO]- 444.002141 190.7
[M+CH3COO]- 458.017791 197.2
[M+Na-2H]- 419.978606 176.4
[M]+ 399.00339142 181.5
[M]- 399.00448858 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe