CID 184348

2-(chloromethyl)benzofuran

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(O2)CCl

InChI

InChI=1S/C9H7ClO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2

InChIKey

LSGCBNJHZGJEEJ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 212
Patents: 166.01854 Da
Monoisotopic Mass: 2.7
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]+	167.02582	127.5
[M+Na]+	189.00776	143.6
[M+NH4]+	184.05236	138.5
[M+K]+	204.98170	137.2
[M-H]-	165.01126	132.3
[M+Na-2H]-	186.99321	135.9
[M]+	166.01799	131.7
[M]-	166.01909	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe