CID 97699

1-(4-bromophenyl)-3-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H11BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H
InChIKey
QMHDTKUBDZUMNH-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

110
Patents

285.99933 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00661 153.3
[M+Na]+ 308.98855 158.8
[M+NH4]+ 304.03315 158.7
[M+K]+ 324.96249 156.7
[M-H]- 284.99205 156.3
[M+Na-2H]- 306.97400 159.8
[M]+ 285.99878 153.9
[M]- 285.99988 153.9
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.