CID 7019433

3,5-bis(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₅H₄F₄N₂

SMILES

C1=C(NN=C1C(F)F)C(F)F

InChI

InChI=1S/C5H4F4N2/c6-4(7)2-1-3(5(8)9)11-10-2/h1,4-5H,(H,10,11)

InChIKey

YYPFZXBEOCAFDL-UHFFFAOYSA-N

Compound name

3,5-bis(difluoromethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 272
Patents: 168.03107 Da
Monoisotopic Mass: 1.5
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]+	169.03835	138.1
[M+Na]+	191.02029	144.6
[M+NH4]+	186.06489	142.2
[M+K]+	206.99423	142.4
[M-H]-	167.02379	132.1
[M+Na-2H]-	189.00574	139.7
[M]+	168.03052	136.7
[M]-	168.03162	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe