CID 5338633

7-hydroxy-3-phenoxy-4h-chromen-4-one

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C15H10O4/c16-10-6-7-12-13(8-10)18-9-14(15(12)17)19-11-4-2-1-3-5-11/h1-9,16H
InChIKey
RQYBXCFFANHJGM-UHFFFAOYSA-N
Compound name
7-hydroxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3
Patents

254.0579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 151.8
[M+Na]+ 277.04712 161.9
[M-H]- 253.05062 159.8
[M+NH4]+ 272.09172 167.9
[M+K]+ 293.02106 159.2
[M+H-H2O]+ 237.05516 144.3
[M+HCOO]- 299.05610 174.3
[M+CH3COO]- 313.07175 165.4
[M+Na-2H]- 275.03257 160.8
[M]+ 254.05735 155.0
[M]- 254.05845 155.0
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.