CID 3921635

4'-hydroxy-3'-methoxyflavanone

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

COC1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H14O4/c1-19-16-14(18)12-4-2-3-5-13(12)20-15(16)10-6-8-11(17)9-7-10/h2-9,15-17H,1H3

InChIKey

ARFRWVLNDNZOTL-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 270.0892 Da
Monoisotopic Mass: 2.5
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]+	271.096476	158.3
[M+Na]+	293.078418	166.8
[M-H]-	269.081924	165.7
[M+NH4]+	288.123023	173.8
[M+K]+	309.052358	164.3
[M+H-H2O]+	253.086460	150.8
[M+HCOO]-	315.087401	177.5
[M+CH3COO]-	329.103051	196.3
[M+Na-2H]-	291.063866	164.1
[M]+	270.08865142	159.4
[M]-	270.08974858	159.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.