CID 3160253

3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=CN2C(=C(C(=N2)C(=O)O)Cl)N=C1
InChI
InChI=1S/C7H4ClN3O2/c8-4-5(7(12)13)10-11-3-1-2-9-6(4)11/h1-3H,(H,12,13)
InChIKey
RIWROFKWJCRDJY-UHFFFAOYSA-N
Compound name
3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

196.9992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.006476 134.5
[M+Na]+ 219.988418 147.2
[M-H]- 195.991924 134.8
[M+NH4]+ 215.033023 153.1
[M+K]+ 235.962358 142.9
[M+H-H2O]+ 179.996460 127.8
[M+HCOO]- 241.997401 151.2
[M+CH3COO]- 256.013051 148.2
[M+Na-2H]- 217.973866 141.7
[M]+ 196.99865142 138.5
[M]- 196.99974858 138.5
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

patents stripe