CID 54689806

19225-17-3

Structural Information

Molecular Formula

C₁₅H₁₀O₄

SMILES

C1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O

InChI

InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,16-17H

InChIKey

APFWLFUGBMRXCS-UHFFFAOYSA-N

Compound name

4,7-dihydroxy-3-phenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 288
Patents: 254.0579 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.065176	152.3
[M+Na]+	277.047118	162.9
[M-H]-	253.050624	159.3
[M+NH4]+	272.091723	168.0
[M+K]+	293.021058	159.4
[M+H-H2O]+	237.055160	145.3
[M+HCOO]-	299.056101	173.2
[M+CH3COO]-	313.071751	165.6
[M+Na-2H]-	275.032566	160.1
[M]+	254.05735142	154.2
[M]-	254.05844858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe