CID 130299149

2124264-84-0

Structural Information

Molecular Formula

C₄H₃FN₂O₂

SMILES

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

InChI

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

InChIKey

LSQNHKORGLHIMY-UHFFFAOYSA-N

Compound name

5-fluoro-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 130.01785 Da
Monoisotopic Mass: 0.5
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]+	131.025126	120.3
[M+Na]+	153.007068	129.8
[M-H]-	129.010574	117.9
[M+NH4]+	148.051673	140.0
[M+K]+	168.981008	127.8
[M+H-H2O]+	113.015110	113.5
[M+HCOO]-	175.016051	140.2
[M+CH3COO]-	189.031701	164.3
[M+Na-2H]-	150.992516	125.2
[M]+	130.01730142	117.1
[M]-	130.01839858	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe