CID 582575

4-fluoro-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula

C₄H₃FN₂O₂

SMILES

C1=NC(=C(N1)F)C(=O)O

InChI

InChI=1S/C4H3FN2O2/c5-3-2(4(8)9)6-1-7-3/h1H,(H,6,7)(H,8,9)

InChIKey

BKPMWUILLTUJIG-UHFFFAOYSA-N

Compound name

5-fluoro-1H-imidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 130.01785 Da
Monoisotopic Mass: 0.4
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]+	131.02513	122.9
[M+Na]+	153.00707	132.2
[M+NH4]+	148.05167	128.7
[M+K]+	168.98101	130.7
[M-H]-	129.01057	119.6
[M+Na-2H]-	150.99252	126.3
[M]+	130.01730	122.7
[M]-	130.01840	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe