CID 53400928

2-propen-1-one,1-(4'-bromo[1,1'-biphenyl]-4-yl)-3-phenyl-

Structural Information

Molecular Formula
C21H15BrO
SMILES
C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H15BrO/c22-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(23)15-6-16-4-2-1-3-5-16/h1-15H
InChIKey
NTCBUXIQMLORSI-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

613
Patents

362.03064 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.03792 179.5
[M+Na]+ 385.01986 188.9
[M-H]- 361.02336 190.9
[M+NH4]+ 380.06446 195.2
[M+K]+ 400.99380 175.5
[M+H-H2O]+ 345.02790 177.4
[M+HCOO]- 407.02884 199.7
[M+CH3COO]- 421.04449 192.1
[M+Na-2H]- 383.00531 184.0
[M]+ 362.03009 196.8
[M]- 362.03119 196.8
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

patents stripe