CID 478905

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

Structural Information

Molecular Formula
C20H15BrO2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H15BrO2/c1-23-19-12-8-17(9-13-19)20(22)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15/h2-13H,1H3
InChIKey
YUZFNERFXLAMSU-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.02554 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03282 178.8
[M+Na]+ 389.01476 188.9
[M-H]- 365.01826 190.6
[M+NH4]+ 384.05936 194.5
[M+K]+ 404.98870 176.9
[M+H-H2O]+ 349.02280 176.5
[M+HCOO]- 411.02374 199.2
[M+CH3COO]- 425.03939 211.8
[M+Na-2H]- 387.00021 183.1
[M]+ 366.02499 198.2
[M]- 366.02609 198.2
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.