CID 16683048

2,6-bis(acetoxymercuri)-4-nitroaniline

Structural Information

Molecular Formula
C10H10Hg2N2O6
SMILES
CC(=O)O[Hg]C1=CC(=CC(=C1N)[Hg]OC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O2.2C2H4O2.2Hg/c7-5-1-3-6(4-2-5)8(9)10;2*1-2(3)4;;/h3-4H,7H2;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKey
AHJYJMLFISCYBM-UHFFFAOYSA-L
Compound name
acetyloxy-[3-(acetyloxymercurio)-2-amino-5-nitrophenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.9952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.00248 234.1
[M+Na]+ 680.98442 237.2
[M-H]- 656.98792 234.6
[M+NH4]+ 676.02902 244.4
[M+K]+ 696.95836 230.6
[M+H-H2O]+ 640.99246 227.8
[M+HCOO]- 702.99340 253.9
[M+CH3COO]- 717.00905 211.0
[M+Na-2H]- 678.96987 229.5
[M]+ 657.99465 235.9
[M]- 657.99575 235.9
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.