CID 21071759

5-chloropyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CN2C(=CC=N2)N=C1Cl
InChI
InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
InChIKey
WEPRLWNMBTYGGD-UHFFFAOYSA-N
Compound name
5-chloropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

642
Patents

153.00937 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 124.5
[M+Na]+ 175.99859 137.4
[M-H]- 152.00209 125.6
[M+NH4]+ 171.04319 145.5
[M+K]+ 191.97253 133.3
[M+H-H2O]+ 136.00663 117.3
[M+HCOO]- 198.00757 143.4
[M+CH3COO]- 212.02322 139.3
[M+Na-2H]- 173.98404 134.5
[M]+ 153.00882 128.0
[M]- 153.00992 128.0
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

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