CID 55265684

2-chloro-3-(1-chloroethyl)pyrazine

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

CC(C1=NC=CN=C1Cl)Cl

InChI

InChI=1S/C6H6Cl2N2/c1-4(7)5-6(8)10-3-2-9-5/h2-4H,1H3

InChIKey

GKYTXUXTFGVMMD-UHFFFAOYSA-N

Compound name

2-chloro-3-(1-chloroethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.9908 Da
Monoisotopic Mass: 1.6
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]+	176.99808	128.9
[M+Na]+	198.98002	139.2
[M-H]-	174.98352	129.2
[M+NH4]+	194.02462	147.7
[M+K]+	214.95396	135.0
[M+H-H2O]+	158.98806	123.2
[M+HCOO]-	220.98900	140.9
[M+CH3COO]-	235.00465	178.4
[M+Na-2H]-	196.96547	135.7
[M]+	175.99025	131.1
[M]-	175.99135	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.