CID 8305

Tetradifon

Structural Information

Molecular Formula
C12H6Cl4O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKey
MLGCXEBRWGEOQX-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

49
References

22526
Patents

353.88425 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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