CID 64368893

1340235-98-4

Structural Information

Molecular Formula
C9H5ClN6
SMILES
C1=CN=C(C=N1)C2=NN=C3N2C=CN=C3Cl
InChI
InChI=1S/C9H5ClN6/c10-7-9-15-14-8(16(9)4-3-13-7)6-5-11-1-2-12-6/h1-5H
InChIKey
YOVFIWYMPVWEEF-UHFFFAOYSA-N
Compound name
8-chloro-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02643 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03371 146.8
[M+Na]+ 255.01565 160.5
[M-H]- 231.01915 147.1
[M+NH4]+ 250.06025 160.0
[M+K]+ 270.98959 154.0
[M+H-H2O]+ 215.02369 135.7
[M+HCOO]- 277.02463 161.5
[M+CH3COO]- 291.04028 158.9
[M+Na-2H]- 253.00110 156.1
[M]+ 232.02588 150.4
[M]- 232.02698 150.4
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.