CID 96162

7082-99-7

Structural Information

Molecular Formula
C13H10Cl2O2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2O2S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKey
OWFDXWCBYKXLRB-UHFFFAOYSA-N
Compound name
1-chloro-4-[(4-chlorophenyl)sulfonylmethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

299.97784 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98512 160.0
[M+Na]+ 322.96706 170.9
[M-H]- 298.97056 167.1
[M+NH4]+ 318.01166 177.3
[M+K]+ 338.94100 164.0
[M+H-H2O]+ 282.97510 155.2
[M+HCOO]- 344.97604 169.3
[M+CH3COO]- 358.99169 196.2
[M+Na-2H]- 320.95251 163.7
[M]+ 299.97729 165.9
[M]- 299.97839 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.