CID 13058505

108837-20-3

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)O

InChI

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

InChIKey

NHMVADLYFAEQHW-UHFFFAOYSA-N

Compound name

7-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
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]+	271.09648	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