CID 2987297

Rhodblock 3

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CC1=CC2=C(C=C1Cl)C(=CO2)CC(=O)N

InChI

InChI=1S/C11H10ClNO2/c1-6-2-10-8(4-9(6)12)7(5-15-10)3-11(13)14/h2,4-5H,3H2,1H3,(H2,13,14)

InChIKey

DJJRJQKRSSUZIN-UHFFFAOYSA-N

Compound name

2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 223.04001 Da
Monoisotopic Mass: 2.1
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]+	224.04729	144.3
[M+Na]+	246.02923	158.2
[M+NH4]+	241.07383	153.2
[M+K]+	262.00317	153.6
[M-H]-	222.03273	148.2
[M+Na-2H]-	244.01468	149.8
[M]+	223.03946	147.7
[M]-	223.04056	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe