CID 41102

2-(hydroxymercuri)-4-nitroaniline

Structural Information

Molecular Formula
C6H5HgN2O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[Hg])N
InChI
InChI=1S/C6H5N2O2.Hg/c7-5-1-3-6(4-2-5)8(9)10;/h1,3-4H,7H2;
InChIKey
KKFYRTOTOZKWNK-UHFFFAOYSA-N
Compound name
(2-amino-5-nitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.00574 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01302 164.5
[M+Na]+ 361.99496 171.1
[M-H]- 337.99846 167.0
[M+NH4]+ 357.03956 182.6
[M+K]+ 377.96890 164.4
[M+H-H2O]+ 322.00300 161.7
[M+HCOO]- 384.00394 189.2
[M+CH3COO]- 398.01959 180.3
[M+Na-2H]- 359.98041 168.5
[M]+ 339.00519 161.7
[M]- 339.00629 161.7
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.