CID 49859660

Eriodictyol dibenzoylmethane tautomer

Structural Information

Molecular Formula

C₁₅H₁₂O₇

SMILES

C1=CC(=C(C=C1C(=O)CC(=O)C2=C(C=C(C=C2O)O)O)O)O

InChI

InChI=1S/C15H12O7/c16-8-4-12(20)15(13(21)5-8)14(22)6-10(18)7-1-2-9(17)11(19)3-7/h1-5,16-17,19-21H,6H2

InChIKey

UIRCARMQMYTLGE-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 304.0583 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]+	305.065576	163.8
[M+Na]+	327.047518	171.2
[M-H]-	303.051024	164.9
[M+NH4]+	322.092123	175.2
[M+K]+	343.021458	167.8
[M+H-H2O]+	287.055560	157.2
[M+HCOO]-	349.056501	179.8
[M+CH3COO]-	363.072151	195.3
[M+Na-2H]-	325.032966	163.3
[M]+	304.05775142	163.4
[M]-	304.05884858	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe