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]+ 340.013016 164.5
[M+Na]+ 361.994958 171.1
[M-H]- 337.998464 167.0
[M+NH4]+ 357.039563 182.6
[M+K]+ 377.968898 164.4
[M+H-H2O]+ 322.003000 161.7
[M+HCOO]- 384.003941 189.2
[M+CH3COO]- 398.019591 180.3
[M+Na-2H]- 359.980406 168.5
[M]+ 339.00519142 161.7
[M]- 339.00628858 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.