CID 9158981

252978-96-4

Structural Information

Molecular Formula

C₁₀H₇FO₃

SMILES

C1=CC2=C(C=C1F)C(=CO2)CC(=O)O

InChI

InChI=1S/C10H7FO3/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)

InChIKey

IKIKCHVZCYCPAJ-UHFFFAOYSA-N

Compound name

2-(5-fluoro-1-benzofuran-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 194.03792 Da
Monoisotopic Mass: 1.9
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]+	195.045196	134.7
[M+Na]+	217.027138	145.6
[M-H]-	193.030644	138.4
[M+NH4]+	212.071743	155.5
[M+K]+	233.001078	143.7
[M+H-H2O]+	177.035180	129.1
[M+HCOO]-	239.036121	157.5
[M+CH3COO]-	253.051771	179.9
[M+Na-2H]-	215.012586	141.4
[M]+	194.03737142	137.5
[M]-	194.03846858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe