CID 5480905

2-(3-chlorophenyl)-5,7-dihydroxy-4h-chromen-4-one

Structural Information

Molecular Formula
C15H9ClO4
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKey
NNZXUWPQCQOANK-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.01895 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02623 158.7
[M+Na]+ 311.00817 170.9
[M-H]- 287.01167 165.8
[M+NH4]+ 306.05277 174.2
[M+K]+ 326.98211 166.0
[M+H-H2O]+ 271.01621 152.6
[M+HCOO]- 333.01715 175.0
[M+CH3COO]- 347.03280 171.8
[M+Na-2H]- 308.99362 165.3
[M]+ 288.01840 163.3
[M]- 288.01950 163.3
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.