CID 6999

Mercufenol chloride

Structural Information

Molecular Formula
C6H5ClHgO
SMILES
C1=CC=C(C(=C1)O)[Hg]Cl
InChI
InChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1
InChIKey
GABVDWALKPAUEQ-UHFFFAOYSA-M
Compound name
chloro-(2-hydroxyphenyl)mercury
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

594
Patents

329.97354 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.980816 160.9
[M+Na]+ 352.962758 168.9
[M-H]- 328.966264 162.0
[M+NH4]+ 348.007363 180.9
[M+K]+ 368.936698 164.1
[M+H-H2O]+ 312.970800 155.0
[M+HCOO]- 374.971741 178.2
[M+CH3COO]- 388.987391 177.2
[M+Na-2H]- 350.948206 164.6
[M]+ 329.97299142 162.0
[M]- 329.97408858 162.0
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