CID 3420059

87015-40-5

Structural Information

Molecular Formula
C15H12Cl2O3S
SMILES
C1=CC(=CC=C1C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKey
KAOGXECPJKJPIX-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.98843 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.99571 170.1
[M+Na]+ 364.97765 179.9
[M-H]- 340.98115 177.1
[M+NH4]+ 360.02225 185.5
[M+K]+ 380.95159 173.1
[M+H-H2O]+ 324.98569 165.0
[M+HCOO]- 386.98663 178.3
[M+CH3COO]- 401.00228 204.0
[M+Na-2H]- 362.96310 172.2
[M]+ 341.98788 177.0
[M]- 341.98898 177.0
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.