CID 16682952

Mercury, (pentachlorophenoxy)phenyl-

Structural Information

Molecular Formula
C12H5Cl5HgO
SMILES
C1=CC=C(C=C1)[Hg]OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6HCl5O.C6H5.Hg/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-4-6-5-3-1;/h12H;1-5H;/q;;+1/p-1
InChIKey
IIYRNPYRTPIBQB-UHFFFAOYSA-M
Compound name
(2,3,4,5,6-pentachlorophenoxy)-phenylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

541.84894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.85622 200.9
[M+Na]+ 564.83816 210.1
[M-H]- 540.84166 200.9
[M+NH4]+ 559.88276 212.8
[M+K]+ 580.81210 203.0
[M+H-H2O]+ 524.84620 195.2
[M+HCOO]- 586.84714 197.1
[M+CH3COO]- 600.86279 217.6
[M+Na-2H]- 562.82361 196.9
[M]+ 541.84839 203.7
[M]- 541.84949 203.7
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

patents stripe