CID 531893

313372-22-4

Structural Information

Molecular Formula

C₁₁H₈FNO₂

SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)

InChIKey

AQQZKDFBNBVLHX-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4
Patents: 205.05391 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]+	206.06119	140.6
[M+Na]+	228.04313	148.7
[M-H]-	204.04663	147.2
[M+NH4]+	223.08773	159.6
[M+K]+	244.01707	147.0
[M+H-H2O]+	188.05117	133.2
[M+HCOO]-	250.05211	165.5
[M+CH3COO]-	264.06776	184.9
[M+Na-2H]-	226.02858	146.5
[M]+	205.05336	140.1
[M]-	205.05446	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe