CID 5399629

137987-94-1

Structural Information

Molecular Formula
C15H9ClO4
SMILES
C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)Cl
InChI
InChI=1S/C15H9ClO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H
InChIKey
BIWKGGSODHYGIP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

288.01895 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02623 158.3
[M+Na]+ 311.00817 170.1
[M-H]- 287.01167 166.5
[M+NH4]+ 306.05277 174.3
[M+K]+ 326.98211 165.9
[M+H-H2O]+ 271.01621 151.7
[M+HCOO]- 333.01715 176.2
[M+CH3COO]- 347.03280 171.8
[M+Na-2H]- 308.99362 166.1
[M]+ 288.01840 164.3
[M]- 288.01950 164.3
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

patents stripe