CID 6635

Chlorfenson

Structural Information

Molecular Formula
C12H8Cl2O3S
SMILES
C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey
RZXLPPRPEOUENN-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

7
References

14112
Patents

301.95712 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96440 162.7
[M+Na]+ 324.94634 178.7
[M+NH4]+ 319.99094 171.7
[M+K]+ 340.92028 168.7
[M-H]- 300.94984 166.4
[M+Na-2H]- 322.93179 171.8
[M]+ 301.95657 167.3
[M]- 301.95767 167.3
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