CID 129956831

6-fluoro-3-iodopyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H3FIN3
SMILES
C1=C(C=NC2=C(C=NN21)I)F
InChI
InChI=1S/C6H3FIN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKey
UBOYYBPUOFRMPK-UHFFFAOYSA-N
Compound name
6-fluoro-3-iodopyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.94286 124.0
[M+Na]+ 285.92480 129.8
[M-H]- 261.92830 117.5
[M+NH4]+ 280.96940 139.5
[M+K]+ 301.89874 132.5
[M+H-H2O]+ 245.93284 112.7
[M+HCOO]- 307.93378 141.7
[M+CH3COO]- 321.94943 134.7
[M+Na-2H]- 283.91025 121.8
[M]+ 262.93503 122.8
[M]- 262.93613 122.8
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.