CID 44228972

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

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CN=C(N=C1C2=CNN=C2)Cl
InChI
InChI=1S/C7H5ClN4/c8-7-9-2-1-6(12-7)5-3-10-11-4-5/h1-4H,(H,10,11)
InChIKey
ZOVWDSGUKDHRBV-UHFFFAOYSA-N
Compound name
2-chloro-4-(1H-pyrazol-4-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.02028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02756 133.6
[M+Na]+ 203.00950 144.4
[M-H]- 179.01300 133.8
[M+NH4]+ 198.05410 149.9
[M+K]+ 218.98344 139.2
[M+H-H2O]+ 163.01754 124.6
[M+HCOO]- 225.01848 149.3
[M+CH3COO]- 239.03413 146.2
[M+Na-2H]- 200.99495 140.8
[M]+ 180.01973 133.2
[M]- 180.02083 133.2
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