CID 5005318

868256-24-0

Structural Information

Molecular Formula
C21H17ClO3S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H17ClO3S/c22-19-10-12-20(13-11-19)26(24,25)15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKey
VVDCBBPQSGZNFR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0587 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06598 187.9
[M+Na]+ 407.04792 196.1
[M-H]- 383.05142 197.7
[M+NH4]+ 402.09252 200.4
[M+K]+ 423.02186 188.8
[M+H-H2O]+ 367.05596 179.8
[M+HCOO]- 429.05690 200.3
[M+CH3COO]- 443.07255 213.5
[M+Na-2H]- 405.03337 190.0
[M]+ 384.05815 193.0
[M]- 384.05925 193.0
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.