CID 17750391

5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C8H7Cl2N3
SMILES
CCC1=C2N=C(C=C(N2N=C1)Cl)Cl
InChI
InChI=1S/C8H7Cl2N3/c1-2-5-4-11-13-7(10)3-6(9)12-8(5)13/h3-4H,2H2,1H3
InChIKey
QFSOXHZZXZVMHY-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

215.00171 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00899 140.5
[M+Na]+ 237.99093 154.4
[M-H]- 213.99443 141.0
[M+NH4]+ 233.03553 159.8
[M+K]+ 253.96487 148.5
[M+H-H2O]+ 197.99897 133.5
[M+HCOO]- 259.99991 153.2
[M+CH3COO]- 274.01556 154.0
[M+Na-2H]- 235.97638 146.8
[M]+ 215.00116 146.0
[M]- 215.00226 146.0
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