CID 66563726

1220799-65-4

Structural Information

Molecular Formula

C₅H₂F₄N₂

SMILES

C1=C(N=CC(=N1)F)C(F)(F)F

InChI

InChI=1S/C5H2F4N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H

InChIKey

LDFYMGRDKCHQRZ-UHFFFAOYSA-N

Compound name

2-fluoro-5-(trifluoromethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 166.01541 Da
Monoisotopic Mass: 1.1
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]+	167.02269	125.4
[M+Na]+	189.00463	136.2
[M-H]-	165.00813	121.8
[M+NH4]+	184.04923	143.5
[M+K]+	204.97857	133.7
[M+H-H2O]+	149.01267	115.6
[M+HCOO]-	211.01361	142.8
[M+CH3COO]-	225.02926	176.7
[M+Na-2H]-	186.99008	133.4
[M]+	166.01486	119.9
[M]-	166.01596	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe