CID 303389

3'-chloro-4'-methyl-2-furanilide

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₂

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)Cl

InChI

InChI=1S/C12H10ClNO2/c1-8-4-5-9(7-10(8)13)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)

InChIKey

CZIKLJHXDRQDBO-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-methylphenyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 235.04001 Da
Monoisotopic Mass: 3.7
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]+	236.047286	150.8
[M+Na]+	258.029228	160.1
[M-H]-	234.032734	158.8
[M+NH4]+	253.073833	169.8
[M+K]+	274.003168	156.7
[M+H-H2O]+	218.037270	145.1
[M+HCOO]-	280.038211	171.7
[M+CH3COO]-	294.053861	190.2
[M+Na-2H]-	256.014676	155.4
[M]+	235.03946142	154.3
[M]-	235.04055858	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.