CID 5253348

1-(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₄H₄F₂N₂

SMILES

C1=CN(N=C1)C(F)F

InChI

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

InChIKey

GYUFLTOWUVCCNO-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 594
Patents: 118.034256 Da
Monoisotopic Mass: 1.1
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	116.2
[M+Na]+	141.02347	125.5
[M-H]-	117.02698	114.8
[M+NH4]+	136.06808	137.7
[M+K]+	156.99741	124.8
[M+H-H2O]+	101.03152	107.9
[M+HCOO]-	163.03246	137.4
[M+CH3COO]-	177.04811	168.2
[M+Na-2H]-	139.00892	122.4
[M]+	118.03371	113.2
[M]-	118.03480	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe