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]+ 441.03688 189.9
[M+Na]+ 463.01882 194.3
[M-H]- 439.02232 192.2
[M+NH4]+ 458.06342 203.6
[M+K]+ 478.99276 188.5
[M+H-H2O]+ 423.02686 185.7
[M+HCOO]- 485.02780 212.7
[M+CH3COO]- 499.04345 197.7
[M+Na-2H]- 461.00427 190.9
[M]+ 440.02905 190.6
[M]- 440.03015 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.