CID 2782695

54022-97-8

Structural Information

Molecular Formula

C₁₁H₇FO₃

SMILES

C1=CC(=CC(=C1)F)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H7FO3/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)

InChIKey

ZFRKHCKKEAQDIB-UHFFFAOYSA-N

Compound name

5-(3-fluorophenyl)furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 206.03792 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]+	207.04520	139.1
[M+Na]+	229.02714	148.4
[M-H]-	205.03064	144.7
[M+NH4]+	224.07174	157.8
[M+K]+	245.00108	146.5
[M+H-H2O]+	189.03518	132.6
[M+HCOO]-	251.03612	161.7
[M+CH3COO]-	265.05177	181.4
[M+Na-2H]-	227.01259	143.6
[M]+	206.03737	139.4
[M]-	206.03847	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe