CID 59154397

1823271-62-0

Structural Information

Molecular Formula

C₅H₅FN₂O₂

SMILES

CN1C=C(C(=N1)F)C(=O)O

InChI

InChI=1S/C5H5FN2O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H,9,10)

InChIKey

QJOPEADUKDOQSB-UHFFFAOYSA-N

Compound name

3-fluoro-1-methylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	145.04079	127.1
[M+Na]+	167.02273	137.2
[M+NH4]+	162.06733	133.2
[M+K]+	182.99667	135.3
[M-H]-	143.02623	124.4
[M+Na-2H]-	165.00818	130.6
[M]+	144.03296	127.3
[M]-	144.03406	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe