CID 22228057

288251-56-9

Structural Information

Molecular Formula

C₁₁H₉FN₂O₂

SMILES

CC1=NN(C=C1C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-14(13-7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)

InChIKey

AUJMRONEMHYYBH-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 220.0648 Da
Monoisotopic Mass: 1.9
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]+	221.07208	147.7
[M+Na]+	243.05402	160.0
[M+NH4]+	238.09862	154.1
[M+K]+	259.02796	156.5
[M-H]-	219.05752	147.8
[M+Na-2H]-	241.03947	153.7
[M]+	220.06425	149.2
[M]-	220.06535	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe