CID 90135472

5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H2Cl2FN3
SMILES
C1=C2N=C(C(=C(N2N=C1)Cl)F)Cl
InChI
InChI=1S/C6H2Cl2FN3/c7-5-4(9)6(8)12-3(11-5)1-2-10-12/h1-2H
InChIKey
ODSFOBZQPXXYAU-UHFFFAOYSA-N
Compound name
5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

204.96098 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96826 132.4
[M+Na]+ 227.95020 147.2
[M-H]- 203.95370 131.9
[M+NH4]+ 222.99480 152.1
[M+K]+ 243.92414 141.4
[M+H-H2O]+ 187.95824 124.9
[M+HCOO]- 249.95918 144.8
[M+CH3COO]- 263.97483 146.3
[M+Na-2H]- 225.93565 139.4
[M]+ 204.96043 136.3
[M]- 204.96153 136.3
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