CID 40541

52814-92-3

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

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

InChI

InChI=1S/C11H10O3/c1-7(12)10-5-8-3-4-9(13-2)6-11(8)14-10/h3-6H,1-2H3

InChIKey

HRRSGAXMWLEMKX-UHFFFAOYSA-N

Compound name

1-(6-methoxy-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 190.06299 Da
Monoisotopic Mass: 2.3
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]+	191.07027	136.4
[M+Na]+	213.05221	150.3
[M+NH4]+	208.09681	145.2
[M+K]+	229.02615	146.3
[M-H]-	189.05571	139.7
[M+Na-2H]-	211.03766	142.5
[M]+	190.06244	139.3
[M]-	190.06354	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe