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

literature stripe

Patent stripe

patents stripe