CID 49761484

7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C7H3ClN4
SMILES
C1=C(N2C(=C(C=N2)C#N)N=C1)Cl
InChI
InChI=1S/C7H3ClN4/c8-6-1-2-10-7-5(3-9)4-11-12(6)7/h1-2,4H
InChIKey
XXUKSBBIJKPEOT-UHFFFAOYSA-N
Compound name
7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.00462 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01190 132.0
[M+Na]+ 200.99384 146.3
[M-H]- 176.99734 131.8
[M+NH4]+ 196.03844 149.6
[M+K]+ 216.96778 140.6
[M+H-H2O]+ 161.00188 117.6
[M+HCOO]- 223.00282 146.9
[M+CH3COO]- 237.01847 144.4
[M+Na-2H]- 198.97929 139.7
[M]+ 178.00407 130.2
[M]- 178.00517 130.2
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.

Patent stripe

patents stripe