CID 6621

4-chlorophenyl phenyl sulfone

Structural Information

Molecular Formula
C12H9ClO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChIKey
OFCFYWOKHPOXKF-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

3688
Patents

252.00117 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.008446 150.3
[M+Na]+ 274.990388 160.6
[M-H]- 250.993894 157.9
[M+NH4]+ 270.034993 168.8
[M+K]+ 290.964328 154.9
[M+H-H2O]+ 234.998430 144.8
[M+HCOO]- 296.999371 165.0
[M+CH3COO]- 311.015021 187.6
[M+Na-2H]- 272.975836 155.8
[M]+ 252.00062142 154.4
[M]- 252.00171858 154.4
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