CID 4138773

4-(3,5-difluorophenyl)-1h-pyrazole

Structural Information

Molecular Formula

C₉H₆F₂N₂

SMILES

C1=C(C=C(C=C1F)F)C2=CNN=C2

InChI

InChI=1S/C9H6F2N2/c10-8-1-6(2-9(11)3-8)7-4-12-13-5-7/h1-5H,(H,12,13)

InChIKey

KNSJJZKQRHFLRS-UHFFFAOYSA-N

Compound name

4-(3,5-difluorophenyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 180.04991 Da
Monoisotopic Mass: 2.0
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]+	181.05719	137.0
[M+Na]+	203.03913	149.2
[M+NH4]+	198.08373	144.2
[M+K]+	219.01307	144.4
[M-H]-	179.04263	136.8
[M+Na-2H]-	201.02458	144.2
[M]+	180.04936	138.5
[M]-	180.05046	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe