CID 68246

Delfinidin

Structural Information

Molecular Formula

C₁₅H₁₀O₇

SMILES

C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=O)C=C3O2)O)O

InChI

InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,17-21H

InChIKey

GXJDGHPXUVXIBO-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5906
Patents: 302.04266 Da
Monoisotopic Mass: 0.3
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]+	303.049936	163.0
[M+Na]+	325.031878	174.0
[M-H]-	301.035384	166.9
[M+NH4]+	320.076483	175.0
[M+K]+	341.005818	170.8
[M+H-H2O]+	285.039920	156.2
[M+HCOO]-	347.040861	179.5
[M+CH3COO]-	361.056511	195.5
[M+Na-2H]-	323.017326	167.5
[M]+	302.04211142	165.2
[M]-	302.04320858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe