CID 11136

4-chloromercuribenzenesulfonate

Structural Information

Molecular Formula
C6H5ClHgO3S
SMILES
C1=CC(=CC=C1S(=O)(=O)O)[Hg]Cl
InChI
InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1
InChIKey
XXEBDPRHFAWOND-UHFFFAOYSA-M
Compound name
chloro-(4-sulfophenyl)mercury
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

627
References

2082
Patents

393.93542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.94270 173.1
[M+Na]+ 416.92464 181.7
[M-H]- 392.92814 174.9
[M+NH4]+ 411.96924 190.9
[M+K]+ 432.89858 176.2
[M+H-H2O]+ 376.93268 167.4
[M+HCOO]- 438.93362 184.4
[M+CH3COO]- 452.94927 183.8
[M+Na-2H]- 414.91009 174.5
[M]+ 393.93487 177.2
[M]- 393.93597 177.2
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