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

16
Patents

180.02028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.027556 133.6
[M+Na]+ 203.009498 144.4
[M-H]- 179.013004 133.8
[M+NH4]+ 198.054103 149.9
[M+K]+ 218.983438 139.2
[M+H-H2O]+ 163.017540 124.6
[M+HCOO]- 225.018481 149.3
[M+CH3COO]- 239.034131 146.2
[M+Na-2H]- 200.994946 140.8
[M]+ 180.01973142 133.2
[M]- 180.02082858 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