CID 2807014

1646-32-8

Structural Information

Molecular Formula

C₁₀H₇ClO₂

SMILES

CC(=O)C1=CC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C10H7ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3

InChIKey

CRKKDXCKRYPNFM-UHFFFAOYSA-N

Compound name

1-(5-chloro-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 23
Patents: 194.01346 Da
Monoisotopic Mass: 3.0
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]+	195.02074	135.8
[M+Na]+	217.00268	148.0
[M-H]-	193.00618	142.1
[M+NH4]+	212.04728	158.3
[M+K]+	232.97662	145.0
[M+H-H2O]+	177.01072	131.9
[M+HCOO]-	239.01166	156.3
[M+CH3COO]-	253.02731	181.6
[M+Na-2H]-	214.98813	143.0
[M]+	194.01291	142.1
[M]-	194.01401	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe