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

literature stripe

Patent stripe

patents stripe