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

1
Patents

196.9992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00648 134.9
[M+Na]+ 219.98842 149.2
[M+NH4]+ 215.03302 142.3
[M+K]+ 235.96236 145.5
[M-H]- 195.99192 134.4
[M+Na-2H]- 217.97387 140.9
[M]+ 196.99865 136.9
[M]- 196.99975 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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