CID 155821041

2490420-71-6

Structural Information

Molecular Formula
C8H6ClN3O2
SMILES
COC(=O)C1=CN=C(C2=CC=NN21)Cl
InChI
InChI=1S/C8H6ClN3O2/c1-14-8(13)6-4-10-7(9)5-2-3-11-12(5)6/h2-4H,1H3
InChIKey
FXOJNAALALOHAO-UHFFFAOYSA-N
Compound name
methyl 4-chloropyrazolo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.01485 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02213 138.9
[M+Na]+ 234.00407 151.7
[M-H]- 210.00757 140.5
[M+NH4]+ 229.04867 157.8
[M+K]+ 249.97801 148.0
[M+H-H2O]+ 194.01211 131.7
[M+HCOO]- 256.01305 156.8
[M+CH3COO]- 270.02870 183.2
[M+Na-2H]- 231.98952 146.0
[M]+ 211.01430 145.0
[M]- 211.01540 145.0
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.