CID 10847

538-04-5

Structural Information

Molecular Formula
C6H4ClHgO
SMILES
C1=CC(=C(C=C1[Hg])Cl)O
InChI
InChI=1S/C6H4ClO.Hg/c7-5-3-1-2-4-6(5)8;/h2-4,8H;
InChIKey
PXVBIBFQMMCICH-UHFFFAOYSA-N
Compound name
(3-chloro-4-hydroxyphenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9657 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.972976 160.1
[M+Na]+ 351.954918 169.1
[M-H]- 327.958424 161.7
[M+NH4]+ 346.999523 180.4
[M+K]+ 367.928858 164.3
[M+H-H2O]+ 311.962960 154.5
[M+HCOO]- 373.963901 177.4
[M+CH3COO]- 387.979551 178.3
[M+Na-2H]- 349.940366 163.2
[M]+ 328.96515142 161.6
[M]- 328.96624858 161.6
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.