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

94
Patents

339.98978 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99706 164.1
[M+Na]+ 362.97900 171.1
[M-H]- 338.98250 165.8
[M+NH4]+ 358.02360 182.0
[M+K]+ 378.95294 164.4
[M+H-H2O]+ 322.98704 161.7
[M+HCOO]- 384.98798 187.1
[M+CH3COO]- 399.00363 175.5
[M+Na-2H]- 360.96445 168.4
[M]+ 339.98923 162.6
[M]- 339.99033 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.