CID 43424729

N-[1-(1-benzofuran-2-yl)ethyl]-2-chloropropanamide

Structural Information

Molecular Formula

C₁₃H₁₄ClNO₂

SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=O)C(C)Cl

InChI

InChI=1S/C13H14ClNO2/c1-8(14)13(16)15-9(2)12-7-10-5-3-4-6-11(10)17-12/h3-9H,1-2H3,(H,15,16)

InChIKey

QXLMWDZQNXDGOC-UHFFFAOYSA-N

Compound name

N-[1-(1-benzofuran-2-yl)ethyl]-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.0713 Da
Monoisotopic Mass: 2.9
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]+	252.078576	156.8
[M+Na]+	274.060518	165.2
[M-H]-	250.064024	162.3
[M+NH4]+	269.105123	176.1
[M+K]+	290.034458	162.3
[M+H-H2O]+	234.068560	151.6
[M+HCOO]-	296.069501	175.2
[M+CH3COO]-	310.085151	195.4
[M+Na-2H]-	272.045966	160.7
[M]+	251.07075142	161.7
[M]-	251.07184858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.