CID 4101463

5-hydroxy-7-methoxyflavanone

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O

InChI

InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3

InChIKey

ORJDDOBAOGKRJV-UHFFFAOYSA-N

Compound name

5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 121
References: 564
Patents: 270.0892 Da
Monoisotopic Mass: 3.1
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]+	271.09648	158.3
[M+Na]+	293.07842	166.8
[M-H]-	269.08192	165.7
[M+NH4]+	288.12302	173.8
[M+K]+	309.05236	164.3
[M+H-H2O]+	253.08646	150.8
[M+HCOO]-	315.08740	177.5
[M+CH3COO]-	329.10305	196.3
[M+Na-2H]-	291.06387	164.1
[M]+	270.08865	159.4
[M]-	270.08975	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe