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]+ 329.97298 160.1
[M+Na]+ 351.95492 169.1
[M-H]- 327.95842 161.7
[M+NH4]+ 346.99952 180.4
[M+K]+ 367.92886 164.3
[M+H-H2O]+ 311.96296 154.5
[M+HCOO]- 373.96390 177.4
[M+CH3COO]- 387.97955 178.3
[M+Na-2H]- 349.94037 163.2
[M]+ 328.96515 161.6
[M]- 328.96625 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.