CID 19763564

2-(1,1-difluoroethyl)pyrazine

Structural Information

Molecular Formula

C₆H₆F₂N₂

SMILES

CC(C1=NC=CN=C1)(F)F

InChI

InChI=1S/C6H6F2N2/c1-6(7,8)5-4-9-2-3-10-5/h2-4H,1H3

InChIKey

OXKFWGSACYGCSY-UHFFFAOYSA-N

Compound name

2-(1,1-difluoroethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 144.04991 Da
Monoisotopic Mass: 0.6
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]+	145.05719	128.0
[M+Na]+	167.03913	139.4
[M+NH4]+	162.08373	134.9
[M+K]+	183.01307	133.9
[M-H]-	143.04263	125.9
[M+Na-2H]-	165.02458	134.7
[M]+	144.04936	128.8
[M]-	144.05046	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe