CID 6430026

Rac-tetrahydrodaidzein

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

InChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2

InChIKey

YOSDNAMJVOLJKI-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 115
Patents: 258.0892 Da
Monoisotopic Mass: 1.9
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]+	259.09648	155.6
[M+Na]+	281.07842	163.4
[M-H]-	257.08192	160.3
[M+NH4]+	276.12302	170.3
[M+K]+	297.05236	159.9
[M+H-H2O]+	241.08646	148.8
[M+HCOO]-	303.08740	171.9
[M+CH3COO]-	317.10305	167.0
[M+Na-2H]-	279.06387	161.0
[M]+	258.08865	153.5
[M]-	258.08975	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe