CID 25247479

1-(2,2-difluoroethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₅H₆F₂N₂

SMILES

C1=CN(N=C1)CC(F)F

InChI

InChI=1S/C5H6F2N2/c6-5(7)4-9-3-1-2-8-9/h1-3,5H,4H2

InChIKey

PAPXVYOWIDXXAS-UHFFFAOYSA-N

Compound name

1-(2,2-difluoroethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 132.04991 Da
Monoisotopic Mass: 0.4
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]+	133.05719	125.5
[M+Na]+	155.03913	135.1
[M+NH4]+	150.08373	132.3
[M+K]+	171.01307	131.6
[M-H]-	131.04263	122.9
[M+Na-2H]-	153.02458	130.3
[M]+	132.04936	125.7
[M]-	132.05046	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe