CID 6625

4,4'-dichlorodiphenyl sulfone

Structural Information

Molecular Formula
C12H8Cl2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey
GPAPPPVRLPGFEQ-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-chlorophenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

10022
Patents

285.96222 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96950 160.1
[M+Na]+ 308.95144 176.6
[M+NH4]+ 303.99604 169.6
[M+K]+ 324.92538 165.9
[M-H]- 284.95494 164.2
[M+Na-2H]- 306.93689 169.5
[M]+ 285.96167 164.9
[M]- 285.96277 164.9
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