CID 45117776

861397-68-4

Structural Information

Molecular Formula

C₅H₅FN₂O₂

SMILES

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

InChI

InChI=1S/C5H5FN2O2/c6-4(5(9)10)8-2-1-7-3-8/h1-4H,(H,9,10)

InChIKey

SOTNNZZAFRNWMA-UHFFFAOYSA-N

Compound name

2-fluoro-2-imidazol-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 144.03351 Da
Monoisotopic Mass: 0.2
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]+	145.040786	124.7
[M+Na]+	167.022728	133.0
[M-H]-	143.026234	123.3
[M+NH4]+	162.067333	144.2
[M+K]+	182.996668	132.2
[M+H-H2O]+	127.030770	117.3
[M+HCOO]-	189.031711	144.8
[M+CH3COO]-	203.047361	169.6
[M+Na-2H]-	165.008176	129.1
[M]+	144.03296142	122.7
[M]-	144.03405858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe