CID 137935907

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

Structural Information

Molecular Formula
C7H4BrCl2N3
SMILES
C1=C(N2C(=C(C=N2)Br)N=C1CCl)Cl
InChI
InChI=1S/C7H4BrCl2N3/c8-5-3-11-13-6(10)1-4(2-9)12-7(5)13/h1,3H,2H2
InChIKey
NTZCDOUAOOFOHA-UHFFFAOYSA-N
Compound name
3-bromo-7-chloro-5-(chloromethyl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.89658 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.90386 141.8
[M+Na]+ 301.88580 159.5
[M-H]- 277.88930 145.5
[M+NH4]+ 296.93040 162.5
[M+K]+ 317.85974 145.7
[M+H-H2O]+ 261.89384 141.7
[M+HCOO]- 323.89478 153.3
[M+CH3COO]- 337.91043 157.4
[M+Na-2H]- 299.87125 150.3
[M]+ 278.89603 165.2
[M]- 278.89713 165.2
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.