CID 3863548

1-(4-bromophenyl)-3-[(4-bromophenyl)sulfonyl]-1-propanone

Structural Information

Molecular Formula
C15H12Br2O3S
SMILES
C1=CC(=CC=C1C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C15H12Br2O3S/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
VKWZYNTTZWHZES-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.8874 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.89468 157.6
[M+Na]+ 452.87662 168.2
[M-H]- 428.88012 166.9
[M+NH4]+ 447.92122 173.0
[M+K]+ 468.85056 152.1
[M+H-H2O]+ 412.88466 165.6
[M+HCOO]- 474.88560 168.9
[M+CH3COO]- 488.90125 218.3
[M+Na-2H]- 450.86207 163.0
[M]+ 429.88685 194.4
[M]- 429.88795 194.4
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.