CID 16684175

Aniline, 2,2'-mercuribis(6-acetoxymercuri-4-nitro-

Structural Information

Molecular Formula
C16H14Hg3N4O8
SMILES
CC(=O)O[Hg]C1=CC(=CC(=C1N)[Hg]C2=C(C(=CC(=C2)[N+](=O)[O-])[Hg]OC(=O)C)N)[N+](=O)[O-]
InChI
InChI=1S/2C6H4N2O2.2C2H4O2.3Hg/c2*7-5-1-3-6(4-2-5)8(9)10;2*1-2(3)4;;;/h2*3-4H,7H2;2*1H3,(H,3,4);;;/q;;;;;2*+1/p-2
InChIKey
HLDFLBQNBKSDLX-UHFFFAOYSA-L
Compound name
bis[3-(acetyloxymercurio)-2-amino-5-nitrophenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

995.9931 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 997.00038 313.5
[M+Na]+ 1018.9823 326.6
[M-H]- 994.98582 320.3
[M+NH4]+ 1014.0269 322.1
[M+K]+ 1034.9563 317.8
[M+H-H2O]+ 978.99036 297.7
[M+HCOO]- 1040.9913 327.0
[M+CH3COO]- 1055.0070 243.3
[M+Na-2H]- 1016.9678 295.7
[M]+ 995.99255 286.5
[M]- 995.99365 286.5
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.