CID 245835

4-chloro-benzenesulfonic acid 2,4-dichloro-phenyl ester

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 163.5
[M+Na]+ 358.90737 175.1
[M-H]- 334.91087 170.1
[M+NH4]+ 353.95197 179.6
[M+K]+ 374.88131 168.7
[M+H-H2O]+ 318.91541 159.6
[M+HCOO]- 380.91635 168.0
[M+CH3COO]- 394.93200 201.4
[M+Na-2H]- 356.89282 166.3
[M]+ 335.91760 170.9
[M]- 335.91870 170.9
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.