CID 16683960

3h-2,1-benzoxamercurol-3-one

Structural Information

Molecular Formula
C7H4HgO2
SMILES
C1=CC=C2C(=C1)C(=O)O[Hg]2
InChI
InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
JCGVOERJBIIKCF-UHFFFAOYSA-M
Compound name
8-oxa-7-mercurabicyclo[4.3.0]nona-1,3,5-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.99176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.99904 151.7
[M+Na]+ 344.98098 164.0
[M+NH4]+ 340.02558 160.8
[M+K]+ 360.95492 158.1
[M-H]- 320.98448 155.0
[M+Na-2H]- 342.96643 155.7
[M]+ 321.99121 154.3
[M]- 321.99231 154.3
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.