CID 5479462

5-hydroxy-4h-chromen-4-one

Structural Information

Molecular Formula

C₉H₆O₃

SMILES

C1=CC(=C2C(=O)C=COC2=C1)O

InChI

InChI=1S/C9H6O3/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5,10H

InChIKey

CJMXMDVAKVSKFI-UHFFFAOYSA-N

Compound name

5-hydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 238
Patents: 162.0317 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]+	163.038976	126.0
[M+Na]+	185.020918	136.7
[M-H]-	161.024424	131.0
[M+NH4]+	180.065523	146.3
[M+K]+	200.994858	135.2
[M+H-H2O]+	145.028960	120.7
[M+HCOO]-	207.029901	149.0
[M+CH3COO]-	221.045551	173.8
[M+Na-2H]-	183.006366	136.7
[M]+	162.03115142	128.0
[M]-	162.03224858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe