CID 121552481

Methyl 5-fluoro-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula

C₆H₇FN₂O₂

SMILES

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

InChI

InChI=1S/C6H7FN2O2/c1-9-5(7)3-4(8-9)6(10)11-2/h3H,1-2H3

InChIKey

JGBDIFUQXGCTRN-UHFFFAOYSA-N

Compound name

methyl 5-fluoro-1-methylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.04915 Da
Monoisotopic Mass: 0.9
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]+	159.056426	127.5
[M+Na]+	181.038368	138.0
[M-H]-	157.041874	128.0
[M+NH4]+	176.082973	148.0
[M+K]+	197.012308	137.4
[M+H-H2O]+	141.046410	120.3
[M+HCOO]-	203.047351	149.8
[M+CH3COO]-	217.063001	176.0
[M+Na-2H]-	179.023816	131.8
[M]+	158.04860142	129.1
[M]-	158.04969858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.