CID 11199650

Tricetinidin

Structural Information

Molecular Formula

C₁₅H₁₁O₆

SMILES

C1=CC(=[O+]C2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1

InChIKey

CMPNIWQMRYYTMK-UHFFFAOYSA-O

Compound name

5-(5,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1175
Patents: 287.05557 Da
Monoisotopic Mass: None
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]+	288.06285	163.1
[M+Na]+	310.04479	172.8
[M-H]-	286.04829	167.0
[M+NH4]+	305.08939	175.3
[M+K]+	326.01873	163.6
[M+H-H2O]+	270.05283	159.1
[M+HCOO]-	332.05377	179.0
[M+CH3COO]-	346.06942	184.7
[M+Na-2H]-	308.03024	170.6
[M]+	287.05502	162.9
[M]-	287.05612	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe