CID 16683883

2-(acetoxymercuri)-3-nitro-p-cresol

Structural Information

Molecular Formula
C9H9HgNO5
SMILES
CC1=C(C(=C(C=C1)O)[Hg]OC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C7H6NO3.C2H4O2.Hg/c1-5-2-3-6(9)4-7(5)8(10)11;1-2(3)4;/h2-3,9H,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
PGPDQWAKZSFQHL-UHFFFAOYSA-M
Compound name
acetyloxy-(6-hydroxy-3-methyl-2-nitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.02598 182.6
[M+Na]+ 436.00792 188.9
[M-H]- 412.01142 184.1
[M+NH4]+ 431.05252 197.6
[M+K]+ 451.98186 182.6
[M+H-H2O]+ 396.01596 179.5
[M+HCOO]- 458.01690 204.1
[M+CH3COO]- 472.03255 189.2
[M+Na-2H]- 433.99337 183.8
[M]+ 413.01815 183.8
[M]- 413.01925 183.8
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.