CID 129968891

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

Structural Information

Molecular Formula
C6H3BrFN3
SMILES
C1=C(C=NC2=C(C=NN21)Br)F
InChI
InChI=1S/C6H3BrFN3/c7-5-2-10-11-3-4(8)1-9-6(5)11/h1-3H
InChIKey
PHKGMBJOGXRQKC-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.94943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.956706 131.4
[M+Na]+ 237.938648 147.5
[M-H]- 213.942154 134.8
[M+NH4]+ 232.983253 153.2
[M+K]+ 253.912588 136.4
[M+H-H2O]+ 197.946690 130.2
[M+HCOO]- 259.947631 152.0
[M+CH3COO]- 273.963281 147.7
[M+Na-2H]- 235.924096 141.6
[M]+ 214.94888142 151.2
[M]- 214.94997858 151.2
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

No patent data available for this compound.