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 185.6
[M+Na]+ 502.82250 195.3
[M-H]- 478.82600 183.3
[M+NH4]+ 497.86710 200.0
[M+K]+ 518.79644 189.2
[M+H-H2O]+ 462.83054 182.2
[M+HCOO]- 524.83148 182.1
[M+CH3COO]- 538.84713 208.8
[M+Na-2H]- 500.80795 181.8
[M]+ 479.83273 187.9
[M]- 479.83383 187.9
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