CID 89620457

6-chloropyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=C2N=CC(=CN2N=C1)Cl
InChI
InChI=1S/C6H4ClN3/c7-5-3-8-6-1-2-9-10(6)4-5/h1-4H
InChIKey
FQXQOIGAJJUUNH-UHFFFAOYSA-N
Compound name
6-chloropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

153.00937 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 124.2
[M+Na]+ 175.99859 140.2
[M+NH4]+ 171.04319 133.7
[M+K]+ 191.97253 134.4
[M-H]- 152.00209 125.6
[M+Na-2H]- 173.98404 132.8
[M]+ 153.00882 127.2
[M]- 153.00992 127.2
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

patents stripe