CID 86767889

8-fluoro-7-hydroxy-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula

SMILES

C1COC2=C(C1=O)C=CC(=C2F)O

InChI

InChI=1S/C9H7FO3/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,12H,3-4H2

InChIKey

ACKJJJGDMIPKQV-UHFFFAOYSA-N

Compound name

8-fluoro-7-hydroxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 182.03792 Da
Monoisotopic Mass: 1.1
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]+	183.04520	134.8
[M+Na]+	205.02714	147.5
[M+NH4]+	200.07174	143.0
[M+K]+	221.00108	142.0
[M-H]-	181.03064	136.7
[M+Na-2H]-	203.01259	139.3
[M]+	182.03737	137.0
[M]-	182.03847	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe