CID 5480907

2-(4-bromophenyl)-5,7-dihydroxy-4h-chromen-4-one

Structural Information

Molecular Formula
C15H9BrO4
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)Br
InChI
InChI=1S/C15H9BrO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKey
WZIDCTPTSYWUCA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.9684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.97568 164.8
[M+Na]+ 354.95762 177.9
[M-H]- 330.96112 174.0
[M+NH4]+ 350.00222 181.2
[M+K]+ 370.93156 167.0
[M+H-H2O]+ 314.96566 163.9
[M+HCOO]- 376.96660 182.9
[M+CH3COO]- 390.98225 178.9
[M+Na-2H]- 352.94307 172.1
[M]+ 331.96785 185.3
[M]- 331.96895 185.3
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

No patent data available for this compound.