CID 45480447

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

Structural Information

Molecular Formula
C7H2Cl2N4
SMILES
C1=C(N2C(=C(C=N2)C#N)N=C1Cl)Cl
InChI
InChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H
InChIKey
KDFQVEDUSUYBCO-UHFFFAOYSA-N
Compound name
5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

211.96565 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97293 138.8
[M+Na]+ 234.95487 154.1
[M-H]- 210.95837 138.1
[M+NH4]+ 229.99947 155.6
[M+K]+ 250.92881 147.2
[M+H-H2O]+ 194.96291 124.9
[M+HCOO]- 256.96385 148.8
[M+CH3COO]- 270.97950 150.6
[M+Na-2H]- 232.94032 144.8
[M]+ 211.96510 138.0
[M]- 211.96620 138.0
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