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]+ 414.025976 182.6
[M+Na]+ 436.007918 188.9
[M-H]- 412.011424 184.1
[M+NH4]+ 431.052523 197.6
[M+K]+ 451.981858 182.6
[M+H-H2O]+ 396.015960 179.5
[M+HCOO]- 458.016901 204.1
[M+CH3COO]- 472.032551 189.2
[M+Na-2H]- 433.993366 183.8
[M]+ 413.01815142 183.8
[M]- 413.01924858 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.