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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.998076 128.9
[M+Na]+ 198.980018 139.2
[M-H]- 174.983524 129.2
[M+NH4]+ 194.024623 147.7
[M+K]+ 214.953958 135.0
[M+H-H2O]+ 158.988060 123.2
[M+HCOO]- 220.989001 140.9
[M+CH3COO]- 235.004651 178.4
[M+Na-2H]- 196.965466 135.7
[M]+ 175.99025142 131.1
[M]- 175.99134858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.