CID 3724535

868256-22-8

Structural Information

Molecular Formula
C21H17BrO3S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H17BrO3S/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
WBRZTAVIJBQQNV-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.00818 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.01546 173.7
[M+Na]+ 450.99740 179.4
[M+NH4]+ 446.04200 178.2
[M+K]+ 466.97134 176.6
[M-H]- 427.00090 177.6
[M+Na-2H]- 448.98285 181.5
[M]+ 428.00763 175.1
[M]- 428.00873 175.1
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.