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

literature stripe

Patent stripe

patents stripe