CID 78504

2,6-dichloropyrazine

Structural Information

Molecular Formula

C₄H₂Cl₂N₂

SMILES

C1=C(N=C(C=N1)Cl)Cl

InChI

InChI=1S/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H

InChIKey

LSEAAPGIZCDEEH-UHFFFAOYSA-N

Compound name

2,6-dichloropyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 3910
Patents: 147.9595 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]+	148.966776	120.1
[M+Na]+	170.948718	131.5
[M-H]-	146.952224	120.6
[M+NH4]+	165.993323	140.1
[M+K]+	186.922658	127.4
[M+H-H2O]+	130.956760	114.7
[M+HCOO]-	192.957701	133.7
[M+CH3COO]-	206.973351	171.7
[M+Na-2H]-	168.934166	129.2
[M]+	147.95895142	122.1
[M]-	147.96004858	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe