CID 59846969

Schembl12749571

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

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

InChI

InChI=1S/C15H12O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-7,16-19H,1H2

InChIKey

YQJWBMJVIIHDFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 272.06848 Da
Monoisotopic Mass: 3.0
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	158.3
[M+Na]+	295.05770	165.9
[M-H]-	271.06120	160.6
[M+NH4]+	290.10230	171.8
[M+K]+	311.03164	161.6
[M+H-H2O]+	255.06574	152.0
[M+HCOO]-	317.06668	175.6
[M+CH3COO]-	331.08233	191.2
[M+Na-2H]-	293.04315	158.8
[M]+	272.06793	156.5
[M]-	272.06903	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe