CID 257524

22588-79-0

Structural Information

Molecular Formula

C₁₂H₆Cl₄O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)Cl

InChI

InChI=1S/C12H6Cl4O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H

InChIKey

MMYVDBHFYSHDSL-UHFFFAOYSA-N

Compound name

1,2-dichloro-4-(3,4-dichlorophenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 94
Patents: 353.88425 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.89153	180.0
[M+Na]+	376.87347	196.4
[M+NH4]+	371.91807	188.5
[M+K]+	392.84741	185.2
[M-H]-	352.87697	182.9
[M+Na-2H]-	374.85892	187.2
[M]+	353.88370	184.9
[M]-	353.88480	184.9

Literature stripe

literature stripe

Patent stripe

patents stripe