CID 126455219

6-bromo-3-chloropyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=C(C=NC2=C(C=NN21)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKey
UGDBNHAYHKDWES-UHFFFAOYSA-N
Compound name
6-bromo-3-chloropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.91989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92717 132.7
[M+Na]+ 253.90911 149.7
[M-H]- 229.91261 137.1
[M+NH4]+ 248.95371 154.8
[M+K]+ 269.88305 137.3
[M+H-H2O]+ 213.91715 132.6
[M+HCOO]- 275.91809 149.7
[M+CH3COO]- 289.93374 149.3
[M+Na-2H]- 251.89456 143.2
[M]+ 230.91934 155.1
[M]- 230.92044 155.1
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

No patent data available for this compound.