CID 2737390

6-fluoro-2-methyl-4-chromanone

Structural Information

Molecular Formula

C₁₀H₉FO₂

SMILES

CC1CC(=O)C2=C(O1)C=CC(=C2)F

InChI

InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3

InChIKey

RPAIBTVEPAACRP-UHFFFAOYSA-N

Compound name

6-fluoro-2-methyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 180.05865 Da
Monoisotopic Mass: 1.9
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]+	181.06593	132.5
[M+Na]+	203.04787	142.2
[M-H]-	179.05137	136.9
[M+NH4]+	198.09247	152.9
[M+K]+	219.02181	140.7
[M+H-H2O]+	163.05591	126.3
[M+HCOO]-	225.05685	152.5
[M+CH3COO]-	239.07250	181.7
[M+Na-2H]-	201.03332	139.8
[M]+	180.05810	131.6
[M]-	180.05920	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe