CID 466297

6-bromo-3-hydroxy-2-(4-methoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C16H11BrO4
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Br)O
InChI
InChI=1S/C16H11BrO4/c1-20-11-5-2-9(3-6-11)16-15(19)14(18)12-8-10(17)4-7-13(12)21-16/h2-8,19H,1H3
InChIKey
JKZWVDXGJGWZFT-UHFFFAOYSA-N
Compound name
6-bromo-3-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.98407 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.99135 168.8
[M+Na]+ 368.97329 182.0
[M-H]- 344.97679 179.2
[M+NH4]+ 364.01789 185.3
[M+K]+ 384.94723 171.7
[M+H-H2O]+ 328.98133 167.5
[M+HCOO]- 390.98227 188.0
[M+CH3COO]- 404.99792 205.8
[M+Na-2H]- 366.95874 176.0
[M]+ 345.98352 191.3
[M]- 345.98462 191.3
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.