CID 105427656

4-(1,1-difluoroethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₅H₆F₂N₂

SMILES

CC(C1=CNN=C1)(F)F

InChI

InChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-9-3-4/h2-3H,1H3,(H,8,9)

InChIKey

ZQXALPFRWSJBGT-UHFFFAOYSA-N

Compound name

4-(1,1-difluoroethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.04991 Da
Monoisotopic Mass: 1.0
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	125.7
[M+Na]+	155.03913	134.9
[M+NH4]+	150.08373	132.1
[M+K]+	171.01307	132.1
[M-H]-	131.04263	122.2
[M+Na-2H]-	153.02458	130.2
[M]+	132.04936	125.7
[M]-	132.05046	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.