CID 21792405

2-chloro-3-(chloromethyl)pyrazine

Structural Information

Molecular Formula
C5H4Cl2N2
SMILES
C1=CN=C(C(=N1)CCl)Cl
InChI
InChI=1S/C5H4Cl2N2/c6-3-4-5(7)9-2-1-8-4/h1-2H,3H2
InChIKey
YQGZWZWIEBRCJW-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

161.97516 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98244 124.8
[M+Na]+ 184.96438 135.7
[M-H]- 160.96788 125.0
[M+NH4]+ 180.00898 144.2
[M+K]+ 200.93832 131.4
[M+H-H2O]+ 144.97242 119.1
[M+HCOO]- 206.97336 138.0
[M+CH3COO]- 220.98901 174.7
[M+Na-2H]- 182.94983 133.2
[M]+ 161.97461 127.1
[M]- 161.97571 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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