CID 476560

3',4'-dichloro-3-hydroxyflavone

Structural Information

Molecular Formula
C15H8Cl2O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C15H8Cl2O3/c16-10-6-5-8(7-11(10)17)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,19H
InChIKey
BURRHVZKCWIOQN-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-3-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.98505 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.992326 161.4
[M+Na]+ 328.974268 174.6
[M-H]- 304.977774 169.0
[M+NH4]+ 324.018873 177.5
[M+K]+ 344.948208 168.8
[M+H-H2O]+ 288.982310 156.0
[M+HCOO]- 350.983251 174.0
[M+CH3COO]- 364.998901 174.6
[M+Na-2H]- 326.959716 167.6
[M]+ 305.98450142 167.8
[M]- 305.98559858 167.8
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.