CID 81298696

2-fluoro-2-(1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula

C₅H₅FN₂O₂

SMILES

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

InChI

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

InChIKey

MSCKAZKGYFCKDA-UHFFFAOYSA-N

Compound name

2-fluoro-2-pyrazol-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 144.03351 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]+	145.04079	127.0
[M+Na]+	167.02273	136.1
[M+NH4]+	162.06733	133.0
[M+K]+	182.99667	134.6
[M-H]-	143.02623	124.0
[M+Na-2H]-	165.00818	130.7
[M]+	144.03296	126.9
[M]-	144.03406	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe