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

1
Patents

321.99176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.99904 158.5
[M+Na]+ 344.98098 166.5
[M-H]- 320.98448 162.6
[M+NH4]+ 340.02558 180.0
[M+K]+ 360.95492 164.7
[M+H-H2O]+ 304.98902 152.0
[M+HCOO]- 366.98996 180.3
[M+CH3COO]- 381.00561 177.8
[M+Na-2H]- 342.96643 163.3
[M]+ 321.99121 159.3
[M]- 321.99231 159.3
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

patents stripe