CID 137935605

7-chloro-5-(chloromethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C9H9Cl2N3
SMILES
CC1=C2N=C(C=C(N2N=C1C)Cl)CCl
InChI
InChI=1S/C9H9Cl2N3/c1-5-6(2)13-14-8(11)3-7(4-10)12-9(5)14/h3H,4H2,1-2H3
InChIKey
YHDAFHNWTMEFKU-UHFFFAOYSA-N
Compound name
7-chloro-5-(chloromethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02463 145.3
[M+Na]+ 252.00657 159.7
[M-H]- 228.01007 146.0
[M+NH4]+ 247.05117 164.4
[M+K]+ 267.98051 153.6
[M+H-H2O]+ 212.01461 138.5
[M+HCOO]- 274.01555 157.7
[M+CH3COO]- 288.03120 158.7
[M+Na-2H]- 249.99202 150.3
[M]+ 229.01680 151.6
[M]- 229.01790 151.6
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.