CID 16682924

Merpectogel

Structural Information

Molecular Formula
C6H5HgNO3
SMILES
C1=CC=C(C=C1)[Hg]O[N+](=O)[O-]
InChI
InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
InChIKey
PDTFCHSETJBPTR-UHFFFAOYSA-N
Compound name
nitrooxy(phenyl)mercury
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

33
References

41303
Patents

340.9976 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.00488 165.7
[M+Na]+ 363.98682 171.2
[M-H]- 339.99032 168.0
[M+NH4]+ 359.03142 183.7
[M+K]+ 379.96076 165.5
[M+H-H2O]+ 323.99486 162.5
[M+HCOO]- 385.99580 190.2
[M+CH3COO]- 400.01145 176.3
[M+Na-2H]- 361.97227 171.6
[M]+ 340.99705 165.3
[M]- 340.99815 165.3
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