CID 2560313

852388-66-0

Structural Information

Molecular Formula

C₁₀H₇FO₃

SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)O

InChI

InChI=1S/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)

InChIKey

POKSDBKGWXHSCS-UHFFFAOYSA-N

Compound name

7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 194.03792 Da
Monoisotopic Mass: 2.6
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]+	195.04520	137.3
[M+Na]+	217.02714	150.1
[M+NH4]+	212.07174	145.0
[M+K]+	233.00108	146.9
[M-H]-	193.03064	138.5
[M+Na-2H]-	215.01259	141.8
[M]+	194.03737	139.4
[M]-	194.03847	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe