CID 76950

[1,1'-biphenyl]-4,4'-disulfonyl dichloride

Structural Information

Molecular Formula
C12H8Cl2O4S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H
InChIKey
OTFAWEIFBPUXOH-UHFFFAOYSA-N
Compound name
4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

837
Patents

349.9241 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.931376 169.6
[M+Na]+ 372.913318 180.5
[M-H]- 348.916824 177.0
[M+NH4]+ 367.957923 184.7
[M+K]+ 388.887258 173.4
[M+H-H2O]+ 332.921360 165.3
[M+HCOO]- 394.922301 173.3
[M+CH3COO]- 408.937951 200.6
[M+Na-2H]- 370.898766 173.5
[M]+ 349.92355142 176.5
[M]- 349.92464858 176.5
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