CID 45480508

5-bromopyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CN2C(=CC=N2)N=C1Br
InChI
InChI=1S/C6H4BrN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
InChIKey
DIYTVASYDOBYQA-UHFFFAOYSA-N
Compound name
5-bromopyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

196.95886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 127.9
[M+Na]+ 219.94808 143.2
[M-H]- 195.95158 132.3
[M+NH4]+ 214.99268 150.2
[M+K]+ 235.92202 132.6
[M+H-H2O]+ 179.95612 127.5
[M+HCOO]- 241.95706 149.5
[M+CH3COO]- 255.97271 144.5
[M+Na-2H]- 217.93353 139.5
[M]+ 196.95831 148.4
[M]- 196.95941 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

No literature data available for this compound.

Patent stripe

patents stripe