CID 89645

4-anilinofuran-2(5h)-one

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C1C(=CC(=O)O1)NC2=CC=CC=C2

InChI

InChI=1S/C10H9NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h1-6,11H,7H2

InChIKey

CMEWGTYCQMDKHR-UHFFFAOYSA-N

Compound name

3-anilino-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 175.06332 Da
Monoisotopic Mass: 1.5
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]+	176.070596	133.6
[M+Na]+	198.052538	141.3
[M-H]-	174.056044	141.3
[M+NH4]+	193.097143	153.8
[M+K]+	214.026478	140.0
[M+H-H2O]+	158.060580	127.4
[M+HCOO]-	220.061521	159.5
[M+CH3COO]-	234.077171	179.4
[M+Na-2H]-	196.037986	141.0
[M]+	175.06277142	133.1
[M]-	175.06386858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe