CID 16683039

Aniline, 2-(acetoxymercuri)-4-nitro-

Structural Information

Molecular Formula
C8H8HgN2O4
SMILES
CC(=O)O[Hg]C1=C(C=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C6H5N2O2.C2H4O2.Hg/c7-5-1-3-6(4-2-5)8(9)10;1-2(3)4;/h1,3-4H,7H2;1H3,(H,3,4);/q;;+1/p-1
InChIKey
ULKGSTLXKBIBSQ-UHFFFAOYSA-M
Compound name
acetyloxy-(2-amino-5-nitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.01904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02632 171.2
[M+Na]+ 421.00826 181.7
[M+NH4]+ 416.05286 177.1
[M+K]+ 436.98220 178.4
[M-H]- 397.01176 173.2
[M+Na-2H]- 418.99371 173.9
[M]+ 398.01849 172.8
[M]- 398.01959 172.8
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.