CID 12582612

8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=CN2C=NN=C2C(=N1)Cl
InChI
InChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H
InChIKey
VKZJRJVVFDDJKP-UHFFFAOYSA-N
Compound name
8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

154.00462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01190 124.5
[M+Na]+ 176.99384 137.7
[M-H]- 152.99734 124.2
[M+NH4]+ 172.03844 144.0
[M+K]+ 192.96778 133.7
[M+H-H2O]+ 137.00188 116.4
[M+HCOO]- 199.00282 142.2
[M+CH3COO]- 213.01847 138.8
[M+Na-2H]- 174.97929 134.8
[M]+ 154.00407 127.9
[M]- 154.00517 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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