CID 215605

35882-03-2

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

CC(=O)C1=COC2=C1C=C(C=C2)OCC(=O)O

InChI

InChI=1S/C12H10O5/c1-7(13)10-5-17-11-3-2-8(4-9(10)11)16-6-12(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

WKBUOKFWRRIHDJ-UHFFFAOYSA-N

Compound name

2-[(3-acetyl-1-benzofuran-5-yl)oxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 234.05283 Da
Monoisotopic Mass: 1.6
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]+	235.06011	147.1
[M+Na]+	257.04205	158.9
[M+NH4]+	252.08665	153.8
[M+K]+	273.01599	156.9
[M-H]-	233.04555	148.3
[M+Na-2H]-	255.02750	150.9
[M]+	234.05228	148.9
[M]-	234.05338	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.