CID 11105888

62119-70-4

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

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

InChI

InChI=1S/C10H8O3/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)

InChIKey

ZYIXXVCNAOYWQA-UHFFFAOYSA-N

Compound name

2-(1-benzofuran-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 310
Patents: 176.04735 Da
Monoisotopic Mass: 1.8
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]+	177.05463	132.9
[M+Na]+	199.03657	146.0
[M+NH4]+	194.08117	141.5
[M+K]+	215.01051	142.4
[M-H]-	175.04007	135.6
[M+Na-2H]-	197.02202	138.8
[M]+	176.04680	135.4
[M]-	176.04790	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe