CID 55273440

4-bromopyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CN2C(=CC=N2)C(=N1)Br
InChI
InChI=1S/C6H4BrN3/c7-6-5-1-2-9-10(5)4-3-8-6/h1-4H
InChIKey
VLNBPLSGORMPBW-UHFFFAOYSA-N
Compound name
4-bromopyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.95886 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.966136 127.9
[M+Na]+ 219.948078 143.2
[M-H]- 195.951584 132.3
[M+NH4]+ 214.992683 150.2
[M+K]+ 235.922018 132.6
[M+H-H2O]+ 179.956120 127.5
[M+HCOO]- 241.957061 149.5
[M+CH3COO]- 255.972711 144.5
[M+Na-2H]- 217.933526 139.5
[M]+ 196.95831142 148.4
[M]- 196.95940858 148.4
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