CID 478907

[4-(4-bromophenyl)phenyl]-(4-methylsulfonylphenyl)methanone

Structural Information

Molecular Formula
C20H15BrO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H15BrO3S/c1-25(23,24)19-12-8-17(9-13-19)20(22)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15/h2-13H,1H3
InChIKey
AWYCSWYTCYFCPB-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-(4-methylsulfonylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

413.99252 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99980 179.8
[M+Na]+ 436.98174 191.2
[M-H]- 412.98524 192.2
[M+NH4]+ 432.02634 194.5
[M+K]+ 452.95568 178.3
[M+H-H2O]+ 396.98978 178.4
[M+HCOO]- 458.99072 195.0
[M+CH3COO]- 473.00637 216.2
[M+Na-2H]- 434.96719 183.8
[M]+ 413.99197 201.2
[M]- 413.99307 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.