CID 5271521

644973-52-4

Structural Information

Molecular Formula
C15H11BrO3
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)Br)O
InChI
InChI=1S/C15H11BrO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,14-15,18H
InChIKey
ZGCAZWQZBQQOIB-UHFFFAOYSA-N
Compound name
6-bromo-3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.98917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99645 164.0
[M+Na]+ 340.97839 175.2
[M-H]- 316.98189 173.5
[M+NH4]+ 336.02299 181.3
[M+K]+ 356.95233 164.6
[M+H-H2O]+ 300.98643 163.3
[M+HCOO]- 362.98737 180.8
[M+CH3COO]- 377.00302 177.7
[M+Na-2H]- 338.96384 170.6
[M]+ 317.98862 181.9
[M]- 317.98972 181.9
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.