CID 122362549

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

Structural Information

Molecular Formula
C7H5Cl2N3O
SMILES
COC1=C(N2C(=CC=N2)N=C1Cl)Cl
InChI
InChI=1S/C7H5Cl2N3O/c1-13-5-6(8)11-4-2-3-10-12(4)7(5)9/h2-3H,1H3
InChIKey
VDEJMDJNLDZVOO-UHFFFAOYSA-N
Compound name
5,7-dichloro-6-methoxypyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.98097 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98825 138.3
[M+Na]+ 239.97019 152.5
[M-H]- 215.97369 139.1
[M+NH4]+ 235.01479 157.5
[M+K]+ 255.94413 147.5
[M+H-H2O]+ 199.97823 131.5
[M+HCOO]- 261.97917 151.6
[M+CH3COO]- 275.99482 152.2
[M+Na-2H]- 237.95564 145.3
[M]+ 216.98042 144.9
[M]- 216.98152 144.9
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.

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No patent data available for this compound.