CID 16682983

P-aminophenylmercuric acetate

Structural Information

Molecular Formula
C8H9HgNO2
SMILES
CC(=O)O[Hg]C1=CC=C(C=C1)N
InChI
InChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1
InChIKey
RXSUFCOOZSGWSW-UHFFFAOYSA-M
Compound name
acetyloxy-(4-aminophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

172
References

1524
Patents

353.03397 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.04125 171.5
[M+Na]+ 376.02319 177.4
[M-H]- 352.02669 173.4
[M+NH4]+ 371.06779 189.6
[M+K]+ 391.99713 175.0
[M+H-H2O]+ 336.03123 163.5
[M+HCOO]- 398.03217 193.9
[M+CH3COO]- 412.04782 187.5
[M+Na-2H]- 374.00864 172.9
[M]+ 353.03342 171.5
[M]- 353.03452 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe