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]+ 306.99233 161.4
[M+Na]+ 328.97427 174.6
[M-H]- 304.97777 169.0
[M+NH4]+ 324.01887 177.5
[M+K]+ 344.94821 168.8
[M+H-H2O]+ 288.98231 156.0
[M+HCOO]- 350.98325 174.0
[M+CH3COO]- 364.99890 174.6
[M+Na-2H]- 326.95972 167.6
[M]+ 305.98450 167.8
[M]- 305.98560 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.