CID 5318565

Isofraxidin

Structural Information

Molecular Formula

C₁₁H₁₀O₅

SMILES

COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O

InChI

InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3

InChIKey

HOEVRHHMDJKUMZ-UHFFFAOYSA-N

Compound name

7-hydroxy-6,8-dimethoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 65
References: 340
Patents: 222.05283 Da
Monoisotopic Mass: 1.5
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]+	223.06011	142.4
[M+Na]+	245.04205	157.0
[M+NH4]+	240.08665	150.0
[M+K]+	261.01599	151.8
[M-H]-	221.04555	145.2
[M+Na-2H]-	243.02750	147.9
[M]+	222.05228	145.3
[M]-	222.05338	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe