CID 5346977

15485-81-1

Structural Information

Molecular Formula
C15H9ClO3
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)Cl
InChI
InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey
CAMGISMGOXUYFB-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

272.02402 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe