CID 71756579

5-chloro-2h,3h-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Structural Information

Molecular Formula
C5H3ClN4O
SMILES
C1=C(N2C(=NNC2=O)C=N1)Cl
InChI
InChI=1S/C5H3ClN4O/c6-3-1-7-2-4-8-9-5(11)10(3)4/h1-2H,(H,9,11)
InChIKey
SJKKQNWFYONCAP-UHFFFAOYSA-N
Compound name
5-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.99954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00682 127.8
[M+Na]+ 192.98876 143.0
[M+NH4]+ 188.03336 135.3
[M+K]+ 208.96270 138.7
[M-H]- 168.99226 127.1
[M+Na-2H]- 190.97421 134.6
[M]+ 169.99899 129.9
[M]- 170.00009 129.9
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

No patent data available for this compound.