CID 67635188

4-(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₄H₄F₂N₂

SMILES

C1=C(C=NN1)C(F)F

InChI

InChI=1S/C4H4F2N2/c5-4(6)3-1-7-8-2-3/h1-2,4H,(H,7,8)

InChIKey

DVFOWRRDDWWJRU-UHFFFAOYSA-N

Compound name

4-(difluoromethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 118.034256 Da
Monoisotopic Mass: 1.7
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]+	119.04153	117.0
[M+Na]+	141.02347	125.8
[M-H]-	117.02698	114.1
[M+NH4]+	136.06808	137.7
[M+K]+	156.99741	124.1
[M+H-H2O]+	101.03152	108.9
[M+HCOO]-	163.03246	136.7
[M+CH3COO]-	177.04811	165.5
[M+Na-2H]-	139.00892	122.6
[M]+	118.03371	112.0
[M]-	118.03480	112.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe