CID 137935284

7-chloro-5-(chloromethyl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
C1=C2N=C(C=C(N2N=C1)Cl)CCl
InChI
InChI=1S/C7H5Cl2N3/c8-4-5-3-6(9)12-7(11-5)1-2-10-12/h1-3H,4H2
InChIKey
IOQUKHQAJGUXCZ-UHFFFAOYSA-N
Compound name
7-chloro-5-(chloromethyl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.98605 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99333 135.0
[M+Na]+ 223.97527 151.6
[M+NH4]+ 219.01987 144.3
[M+K]+ 239.94921 145.0
[M-H]- 199.97877 136.3
[M+Na-2H]- 221.96072 143.0
[M]+ 200.98550 138.4
[M]- 200.98660 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.