CID 32491

2-chloromercuri-4,6-dinitrophenol

Structural Information

Molecular Formula
C6H3ClHgN2O5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)[Hg]Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H3N2O5.ClH.Hg/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;;/h1,3,9H;1H;/q;;+1/p-1
InChIKey
LZECJIGNFGAJFM-UHFFFAOYSA-M
Compound name
chloro-(2-hydroxy-3,5-dinitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.9437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.95098 181.6
[M+Na]+ 442.93292 187.6
[M-H]- 418.93642 182.7
[M+NH4]+ 437.97752 195.5
[M+K]+ 458.90686 175.8
[M+H-H2O]+ 402.94096 184.3
[M+HCOO]- 464.94190 200.2
[M+CH3COO]- 478.95755 183.1
[M+Na-2H]- 440.91837 185.6
[M]+ 419.94315 180.8
[M]- 419.94425 180.8
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.