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 135.6
[M+Na]+ 223.97527 149.0
[M-H]- 199.97877 135.8
[M+NH4]+ 219.01987 155.1
[M+K]+ 239.94921 143.4
[M+H-H2O]+ 183.98331 128.5
[M+HCOO]- 245.98425 148.6
[M+CH3COO]- 259.99990 149.2
[M+Na-2H]- 221.96072 143.2
[M]+ 200.98550 140.4
[M]- 200.98660 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.

Patent stripe

No patent data available for this compound.