CID 2144727

81718-76-5

Structural Information

Molecular Formula

C₁₀H₇FO₃

SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)O

InChI

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

InChIKey

GMIDGDXRCTUPNM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
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

No literature data available for this compound.

Patent stripe

patents stripe