CID 493373

3'-bromoflavone

Structural Information

Molecular Formula
C15H9BrO2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H
InChIKey
YFEZLTPSCJWVHI-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

299.97858 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98586 158.1
[M+Na]+ 322.96780 171.1
[M-H]- 298.97130 169.4
[M+NH4]+ 318.01240 176.9
[M+K]+ 338.94174 160.6
[M+H-H2O]+ 282.97584 157.4
[M+HCOO]- 344.97678 179.0
[M+CH3COO]- 358.99243 173.4
[M+Na-2H]- 320.95325 167.7
[M]+ 299.97803 178.6
[M]- 299.97913 178.6
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.