CID 18388392

8-chloro[1,2,4]triazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=CN2C(=NC=N2)C(=N1)Cl
InChI
InChI=1S/C5H3ClN4/c6-4-5-8-3-9-10(5)2-1-7-4/h1-3H
InChIKey
VZMFNXVRYOJRMK-UHFFFAOYSA-N
Compound name
8-chloro-[1,2,4]triazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

154.00462 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe