CID 4053302

Dtxsid30398801

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O

InChI

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

InChIKey

QQQCWVDPMPFUGF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 92
References: 231
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

patents stripe