CID 466295

3-bromo-4'-chloro-7-methoxyflavanone

Structural Information

Molecular Formula
C16H10BrClO3
SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)Br
InChI
InChI=1S/C16H10BrClO3/c1-20-11-6-7-12-13(8-11)21-16(14(17)15(12)19)9-2-4-10(18)5-3-9/h2-8H,1H3
InChIKey
FSNTUPVSSYHABI-UHFFFAOYSA-N
Compound name
3-bromo-2-(4-chlorophenyl)-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.95016 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.95744 170.9
[M+Na]+ 386.93938 185.9
[M-H]- 362.94288 182.4
[M+NH4]+ 381.98398 188.5
[M+K]+ 402.91332 174.1
[M+H-H2O]+ 346.94742 170.4
[M+HCOO]- 408.94836 187.1
[M+CH3COO]- 422.96401 185.8
[M+Na-2H]- 384.92483 178.2
[M]+ 363.94961 195.9
[M]- 363.95071 195.9
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.