CID 440047

2'-hydroxydihydrodaidzein

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2

InChIKey

WBOWBLGZAXVREM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5
Patents: 272.06848 Da
Monoisotopic Mass: 2.0
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]+	273.07576	157.5
[M+Na]+	295.05770	166.3
[M-H]-	271.06120	162.7
[M+NH4]+	290.10230	171.7
[M+K]+	311.03164	163.1
[M+H-H2O]+	255.06574	150.7
[M+HCOO]-	317.06668	174.1
[M+CH3COO]-	331.08233	192.4
[M+Na-2H]-	293.04315	162.4
[M]+	272.06793	156.7
[M]-	272.06903	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe