CID 21992219

2-chloro-4-(1h-pyrazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CN(N=C1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C7H5ClN4/c8-7-9-4-2-6(11-7)12-5-1-3-10-12/h1-5H
InChIKey
HLVDAOQURQRINX-UHFFFAOYSA-N
Compound name
2-chloro-4-pyrazol-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

180.02028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02756 133.3
[M+Na]+ 203.00950 148.8
[M+NH4]+ 198.05410 141.6
[M+K]+ 218.98344 143.4
[M-H]- 179.01300 135.2
[M+Na-2H]- 200.99495 142.9
[M]+ 180.01973 136.3
[M]- 180.02083 136.3
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