CID 245835

6621-62-1

Structural Information

Molecular Formula
C12H7Cl3O3S
SMILES
C1=CC(=CC=C1S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H7Cl3O3S/c13-8-1-4-10(5-2-8)19(16,17)18-12-6-3-9(14)7-11(12)15/h1-7H
InChIKey
GVMHORIVFUXONX-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.91815 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.92543 171.6
[M+Na]+ 358.90737 187.8
[M+NH4]+ 353.95197 180.3
[M+K]+ 374.88131 177.4
[M-H]- 334.91087 174.8
[M+Na-2H]- 356.89282 179.7
[M]+ 335.91760 176.4
[M]- 335.91870 176.4
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.