CID 16683057

Mercury, acetoxy(2-acetamido-5-nitrophenyl)-

Structural Information

Molecular Formula
C10H10HgN2O5
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[Hg]OC(=O)C
InChI
InChI=1S/C8H7N2O3.C2H4O2.Hg/c1-6(11)9-7-2-4-8(5-3-7)10(12)13;1-2(3)4;/h2,4-5H,1H3,(H,9,11);1H3,(H,3,4);/q;;+1/p-1
InChIKey
CKLIHVLUBPIHLA-UHFFFAOYSA-M
Compound name
(2-acetamido-5-nitrophenyl)-acetyloxymercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0296 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.036876 189.9
[M+Na]+ 463.018818 194.3
[M-H]- 439.022324 192.2
[M+NH4]+ 458.063423 203.6
[M+K]+ 478.992758 188.5
[M+H-H2O]+ 423.026860 185.7
[M+HCOO]- 485.027801 212.7
[M+CH3COO]- 499.043451 197.7
[M+Na-2H]- 461.004266 190.9
[M]+ 440.02905142 190.6
[M]- 440.03014858 190.6
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.