CID 72212642

2-chloro-6-(chloromethyl)pyrazine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂

SMILES

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

InChI

InChI=1S/C5H4Cl2N2/c6-1-4-2-8-3-5(7)9-4/h2-3H,1H2

InChIKey

ABKVMFTWFVYZQL-UHFFFAOYSA-N

Compound name

2-chloro-6-(chloromethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 161.97516 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]+	162.98244	126.1
[M+Na]+	184.96438	142.0
[M+NH4]+	180.00898	135.6
[M+K]+	200.93832	134.0
[M-H]-	160.96788	127.8
[M+Na-2H]-	182.94983	134.9
[M]+	161.97461	129.5
[M]-	161.97571	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe