CID 5355204

4'-bromochalcone

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1=CC=C(C=C1)/C=C/C(=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/b11-6+
InChIKey
QMHDTKUBDZUMNH-IZZDOVSWSA-N
Compound name
(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

83
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

literature stripe

Patent stripe

patents stripe