CID 11095

4049-38-1

Structural Information

Molecular Formula

C₁₅H₁₂O₆

SMILES

C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2

InChIKey

SBHXYTNGIZCORC-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 364
References: 8299
Patents: 288.0634 Da
Monoisotopic Mass: 2.0
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]+	289.07068	161.0
[M+Na]+	311.05262	169.9
[M-H]-	287.05612	165.1
[M+NH4]+	306.09722	174.0
[M+K]+	327.02656	166.8
[M+H-H2O]+	271.06066	154.3
[M+HCOO]-	333.06160	176.1
[M+CH3COO]-	347.07725	194.1
[M+Na-2H]-	309.03807	164.8
[M]+	288.06285	160.3
[M]-	288.06395	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe