CID 466298

3'-bromoflavonol

Structural Information

Molecular Formula
C15H9BrO3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=CC=C3)Br)O
InChI
InChI=1S/C15H9BrO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,18H
InChIKey
FTMVUENCCJQCAB-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-3-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

315.9735 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98078 161.5
[M+Na]+ 338.96272 174.6
[M-H]- 314.96622 171.8
[M+NH4]+ 334.00732 179.1
[M+K]+ 354.93666 163.9
[M+H-H2O]+ 298.97076 160.7
[M+HCOO]- 360.97170 181.1
[M+CH3COO]- 374.98735 176.3
[M+Na-2H]- 336.94817 170.0
[M]+ 315.97295 182.0
[M]- 315.97405 182.0
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.