CID 16684166

63468-53-1

Structural Information

Molecular Formula
C8H7HgNO5
SMILES
CC(=O)O[Hg]C1=C(C=CC(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C6H4NO3.C2H4O2.Hg/c8-6-3-1-5(2-4-6)7(9)10;1-2(3)4;/h1-3,8H;1H3,(H,3,4);/q;;+1/p-1
InChIKey
FNBCAJBMQOYZDL-UHFFFAOYSA-M
Compound name
acetyloxy-(2-hydroxy-5-nitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.00305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.010326 178.5
[M+Na]+ 421.992268 184.4
[M-H]- 397.995774 179.9
[M+NH4]+ 417.036873 193.8
[M+K]+ 437.966208 178.2
[M+H-H2O]+ 382.000310 175.4
[M+HCOO]- 444.001251 200.4
[M+CH3COO]- 458.016901 184.9
[M+Na-2H]- 419.977716 180.9
[M]+ 399.00250142 179.0
[M]- 399.00359858 179.0
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.