CID 170169

2-(chloromethyl)pyrazine

Structural Information

Molecular Formula
C5H5ClN2
SMILES
C1=CN=C(C=N1)CCl
InChI
InChI=1S/C5H5ClN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKey
GFHPSQFCHUIFTO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

716
Patents

128.01413 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02141 120.2
[M+Na]+ 151.00335 135.4
[M+NH4]+ 146.04795 129.7
[M+K]+ 166.97729 127.9
[M-H]- 127.00685 122.1
[M+Na-2H]- 148.98880 129.4
[M]+ 128.01358 123.3
[M]- 128.01468 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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