CID 5367147

4-bromochalcone

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=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/b11-8+
InChIKey
JFARWEWTPMAQHW-DHZHZOJOSA-N
Compound name
(E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

182
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 156.9
[M+Na]+ 308.98855 167.3
[M-H]- 284.99205 165.9
[M+NH4]+ 304.03315 176.1
[M+K]+ 324.96249 154.9
[M+H-H2O]+ 268.99659 156.3
[M+HCOO]- 330.99753 178.1
[M+CH3COO]- 345.01318 196.3
[M+Na-2H]- 306.97400 163.4
[M]+ 285.99878 174.8
[M]- 285.99988 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.