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]+ 400.01033 170.4
[M+Na]+ 421.99227 181.5
[M+NH4]+ 417.03687 176.1
[M+K]+ 437.96621 178.4
[M-H]- 397.99577 171.4
[M+Na-2H]- 419.97772 172.9
[M]+ 399.00250 171.8
[M]- 399.00360 171.8
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.