CID 146082565

2297377-35-4

Structural Information

Molecular Formula

C₈H₆F₂N₂

SMILES

C#CC1=CN(N=C1)C2CC2(F)F

InChI

InChI=1S/C8H6F2N2/c1-2-6-4-11-12(5-6)7-3-8(7,9)10/h1,4-5,7H,3H2

InChIKey

KRXMBEAWILYNEG-UHFFFAOYSA-N

Compound name

1-(2,2-difluorocyclopropyl)-4-ethynylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.04991 Da
Monoisotopic Mass: 1.2
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]+	169.05719	138.6
[M+Na]+	191.03913	150.3
[M+NH4]+	186.08373	143.7
[M+K]+	207.01307	142.8
[M-H]-	167.04263	135.8
[M+Na-2H]-	189.02458	144.1
[M]+	168.04936	139.6
[M]-	168.05046	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.