CID 9816931

Dihydrobaicalein

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3

InChI

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

InChIKey

GPDJGLOROGNHJD-UHFFFAOYSA-N

Compound name

5,6,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 272.06848 Da
Monoisotopic Mass: 2.4
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