CID 11074154

5,7-dichloropyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=C2N=C(C=C(N2N=C1)Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H
InChIKey
JMTFWCYVZOFHLR-UHFFFAOYSA-N
Compound name
5,7-dichloropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

450
Patents

186.9704 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97768 130.9
[M+Na]+ 209.95962 144.7
[M-H]- 185.96312 131.3
[M+NH4]+ 205.00422 151.0
[M+K]+ 225.93356 139.4
[M+H-H2O]+ 169.96766 124.0
[M+HCOO]- 231.96860 144.3
[M+CH3COO]- 245.98425 145.0
[M+Na-2H]- 207.94507 139.1
[M]+ 186.96985 135.4
[M]- 186.97095 135.4
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