CID 20686953

3-(4-fluorophenyl)-4-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₉FN₂

SMILES

CC1=C(NN=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H9FN2/c1-7-6-12-13-10(7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)

InChIKey

DSDCWXOENGTWKJ-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)-4-methyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 176.07498 Da
Monoisotopic Mass: 2.3
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]+	177.08226	137.1
[M+Na]+	199.06420	150.5
[M+NH4]+	194.10880	145.2
[M+K]+	215.03814	145.2
[M-H]-	175.06770	138.6
[M+Na-2H]-	197.04965	145.1
[M]+	176.07443	139.3
[M]-	176.07553	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe