CID 635646

22287-56-5

Structural Information

Molecular Formula
C24H16Cl2O4S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H16Cl2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKey
OZUNPRDEUXITBO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

801
Patents

501.9867 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.99398 212.4
[M+Na]+ 524.97592 222.6
[M-H]- 500.97942 224.8
[M+NH4]+ 520.02052 220.9
[M+K]+ 540.94986 213.9
[M+H-H2O]+ 484.98396 204.5
[M+HCOO]- 546.98490 215.2
[M+CH3COO]- 561.00055 221.1
[M+Na-2H]- 522.96137 215.0
[M]+ 501.98615 219.5
[M]- 501.98725 219.5
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