CID 16682978

Methylmercury pentachlorophenate

Structural Information

Molecular Formula
C7H3Cl5HgO
SMILES
C[Hg]OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6HCl5O.CH3.Hg/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;1H3;/q;;+1/p-1
InChIKey
QFSGULCPPNDNPU-UHFFFAOYSA-M
Compound name
methyl-(2,3,4,5,6-pentachlorophenoxy)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1188
Patents

479.83328 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.84056 182.1
[M+Na]+ 502.82250 196.4
[M+NH4]+ 497.86710 189.6
[M+K]+ 518.79644 186.4
[M-H]- 478.82600 182.7
[M+Na-2H]- 500.80795 185.9
[M]+ 479.83273 185.6
[M]- 479.83383 185.6
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