CID 478906

4'-bromo-[1,1'-biphenyl]-4-yl-4-methyl-phenyl-methanone

Structural Information

Molecular Formula
C20H15BrO
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H15BrO/c1-14-2-4-17(5-3-14)20(22)18-8-6-15(7-9-18)16-10-12-19(21)13-11-16/h2-13H,1H3
InChIKey
SUIMZYNHRPSGIA-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.03064 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03792 175.6
[M+Na]+ 373.01986 185.9
[M-H]- 349.02336 187.5
[M+NH4]+ 368.06446 192.1
[M+K]+ 388.99380 173.3
[M+H-H2O]+ 333.02790 173.7
[M+HCOO]- 395.02884 195.9
[M+CH3COO]- 409.04449 188.9
[M+Na-2H]- 371.00531 180.0
[M]+ 350.03009 193.8
[M]- 350.03119 193.8
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.