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 179.3
[M+Na]+ 421.00826 184.8
[M-H]- 397.01176 181.4
[M+NH4]+ 416.05286 194.7
[M+K]+ 436.98220 178.6
[M+H-H2O]+ 381.01630 175.6
[M+HCOO]- 443.01724 202.8
[M+CH3COO]- 457.03289 189.7
[M+Na-2H]- 418.99371 181.3
[M]+ 398.01849 178.4
[M]- 398.01959 178.4
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.