CID 40402

Mercurophen

Structural Information

Molecular Formula
C6H4HgNO3
SMILES
C1=CC(=C(C=C1[Hg])[N+](=O)[O-])O
InChI
InChI=1S/C6H4NO3.Hg/c8-6-4-2-1-3-5(6)7(9)10;/h2-4,8H;
InChIKey
KJSYWZKGBFCUBF-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-nitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

339.98978 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.997056 164.1
[M+Na]+ 362.978998 171.1
[M-H]- 338.982504 165.8
[M+NH4]+ 358.023603 182.0
[M+K]+ 378.952938 164.4
[M+H-H2O]+ 322.987040 161.7
[M+HCOO]- 384.987981 187.1
[M+CH3COO]- 399.003631 175.5
[M+Na-2H]- 360.964446 168.4
[M]+ 339.98923142 162.6
[M]- 339.99032858 162.6
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.