CID 3348654

2-(trifluoromethyl)furan-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₃F₃O₃

SMILES

C1=COC(=C1C(=O)O)C(F)(F)F

InChI

InChI=1S/C6H3F3O3/c7-6(8,9)4-3(5(10)11)1-2-12-4/h1-2H,(H,10,11)

InChIKey

HYIKIZXFYAKIPK-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)furan-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 180.00343 Da
Monoisotopic Mass: 1.4
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]+	181.01071	140.2
[M+Na]+	202.99265	147.5
[M+NH4]+	198.03725	144.8
[M+K]+	218.96659	146.3
[M-H]-	178.99615	136.1
[M+Na-2H]-	200.97810	141.6
[M]+	180.00288	139.6
[M]-	180.00398	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe