CID 466300

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

Structural Information

Molecular Formula
C16H11BrO3
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)Br
InChI
InChI=1S/C16H11BrO3/c1-19-11-8-6-10(7-9-11)16-14(17)15(18)12-4-2-3-5-13(12)20-16/h2-9H,1H3
InChIKey
FZSVBUFBQVWCKF-UHFFFAOYSA-N
Compound name
3-bromo-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.98917 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.99645 165.6
[M+Na]+ 352.97839 178.8
[M-H]- 328.98189 177.0
[M+NH4]+ 348.02299 183.3
[M+K]+ 368.95233 168.6
[M+H-H2O]+ 312.98643 164.4
[M+HCOO]- 374.98737 186.2
[M+CH3COO]- 389.00302 180.6
[M+Na-2H]- 350.96384 173.9
[M]+ 329.98862 188.1
[M]- 329.98972 188.1
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.