CID 102159

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

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H11BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H
InChIKey
JFARWEWTPMAQHW-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

176
Patents

285.99933 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.006606 156.9
[M+Na]+ 308.988548 167.3
[M-H]- 284.992054 165.9
[M+NH4]+ 304.033153 176.1
[M+K]+ 324.962488 154.9
[M+H-H2O]+ 268.996590 156.3
[M+HCOO]- 330.997531 178.1
[M+CH3COO]- 345.013181 196.3
[M+Na-2H]- 306.973996 163.4
[M]+ 285.99878142 174.8
[M]- 285.99987858 174.8
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

No patent data available for this compound.