CID 2788330

N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula

C₁₅H₁₂FNO₃

SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C15H12FNO3/c16-10-5-7-11(8-6-10)17-15(18)14-9-19-12-3-1-2-4-13(12)20-14/h1-8,14H,9H2,(H,17,18)

InChIKey

QMLPLBJSVIAAKJ-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 273.0801 Da
Monoisotopic Mass: 2.8
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]+	274.087376	159.5
[M+Na]+	296.069318	166.3
[M-H]-	272.072824	166.8
[M+NH4]+	291.113923	173.3
[M+K]+	312.043258	164.9
[M+H-H2O]+	256.077360	150.5
[M+HCOO]-	318.078301	178.3
[M+CH3COO]-	332.093951	171.1
[M+Na-2H]-	294.054766	166.7
[M]+	273.07955142	158.0
[M]-	273.08064858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.