CID 5393166

87893-58-1

Structural Information

Molecular Formula

SMILES

C1=CC(=O)OC2=CC(=C(C=C21)Cl)O

InChI

InChI=1S/C9H5ClO3/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,11H

InChIKey

CFVSMUGHMLAHRB-UHFFFAOYSA-N

Compound name

6-chloro-7-hydroxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 195.99272 Da
Monoisotopic Mass: 2.2
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]+	197.00000	132.4
[M+Na]+	218.98194	148.9
[M+NH4]+	214.02654	141.9
[M+K]+	234.95588	142.1
[M-H]-	194.98544	136.4
[M+Na-2H]-	216.96739	139.8
[M]+	195.99217	136.3
[M]-	195.99327	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe