CID 59334560

1383474-59-6

Structural Information

Molecular Formula

C₉H₇FN₂O₂

SMILES

COC(=O)C1=C(C=CC2=C1C=NN2)F

InChI

InChI=1S/C9H7FN2O2/c1-14-9(13)8-5-4-11-12-7(5)3-2-6(8)10/h2-4H,1H3,(H,11,12)

InChIKey

HHZOOICJTXZPJX-UHFFFAOYSA-N

Compound name

methyl 5-fluoro-1H-indazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 194.04915 Da
Monoisotopic Mass: 1.5
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]+	195.05643	138.0
[M+Na]+	217.03837	150.3
[M+NH4]+	212.08297	144.9
[M+K]+	233.01231	146.8
[M-H]-	193.04187	136.7
[M+Na-2H]-	215.02382	143.0
[M]+	194.04860	139.1
[M]-	194.04970	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe