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]+ 201.993326 135.6
[M+Na]+ 223.975268 149.0
[M-H]- 199.978774 135.8
[M+NH4]+ 219.019873 155.1
[M+K]+ 239.949208 143.4
[M+H-H2O]+ 183.983310 128.5
[M+HCOO]- 245.984251 148.6
[M+CH3COO]- 259.999901 149.2
[M+Na-2H]- 221.960716 143.2
[M]+ 200.98550142 140.4
[M]- 200.98659858 140.4
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.