CID 5280960

Naringenin chalcone

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O

InChI

InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+

InChIKey

YQHMWTPYORBCMF-ZZXKWVIFSA-N

Compound name

(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 124
References: 7593
Patents: 272.06848 Da
Monoisotopic Mass: 2.8
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	158.9
[M+Na]+	295.05770	166.8
[M-H]-	271.06120	161.1
[M+NH4]+	290.10230	172.5
[M+K]+	311.03164	161.9
[M+H-H2O]+	255.06574	152.4
[M+HCOO]-	317.06668	177.2
[M+CH3COO]-	331.08233	189.5
[M+Na-2H]-	293.04315	160.6
[M]+	272.06793	157.6
[M]-	272.06903	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe