CID 265717

19275-70-8

Structural Information

Molecular Formula
C15H9ClO3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H9ClO3/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,18H
InChIKey
KRLBFAOXSDMNIZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

272.02402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03130 155.5
[M+Na]+ 295.01324 167.5
[M-H]- 271.01674 163.6
[M+NH4]+ 290.05784 172.2
[M+K]+ 310.98718 162.6
[M+H-H2O]+ 255.02128 149.2
[M+HCOO]- 317.02222 173.2
[M+CH3COO]- 331.03787 169.2
[M+Na-2H]- 292.99869 163.2
[M]+ 272.02347 160.0
[M]- 272.02457 160.0
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.