CID 90545

2-chloromercuri-4-nitrophenol

Structural Information

Molecular Formula
C6H4ClHgNO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[Hg]Cl)O
InChI
InChI=1S/C6H4NO3.ClH.Hg/c8-6-3-1-5(2-4-6)7(9)10;;/h1-3,8H;1H;/q;;+1/p-1
InChIKey
VIMWCINSBRXAQH-UHFFFAOYSA-M
Compound name
chloro-(2-hydroxy-5-nitrophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

7521
Patents

374.95862 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.96590 170.9
[M+Na]+ 397.94784 178.3
[M-H]- 373.95134 172.1
[M+NH4]+ 392.99244 188.2
[M+K]+ 413.92178 169.9
[M+H-H2O]+ 357.95588 169.5
[M+HCOO]- 419.95682 189.3
[M+CH3COO]- 433.97247 179.5
[M+Na-2H]- 395.93329 174.6
[M]+ 374.95807 171.4
[M]- 374.95917 171.4
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