CID 54679630

4,7-dihydroxycoumarin

Structural Information

Molecular Formula

C₉H₆O₄

SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2O

InChI

InChI=1S/C9H6O4/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,10-11H

InChIKey

CYSRKZFPSNZSCS-UHFFFAOYSA-N

Compound name

4,7-dihydroxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 155
Patents: 178.02661 Da
Monoisotopic Mass: 0.9
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]+	179.03389	130.8
[M+Na]+	201.01583	145.4
[M+NH4]+	196.06043	139.0
[M+K]+	216.98977	140.3
[M-H]-	177.01933	133.6
[M+Na-2H]-	199.00128	136.9
[M]+	178.02606	133.6
[M]-	178.02716	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe