CID 79079878

2-chloro-4-(1-methyl-1h-pyrazol-5-yl)pyrimidine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
CN1C(=CC=N1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C8H7ClN4/c1-13-7(3-5-11-13)6-2-4-10-8(9)12-6/h2-5H,1H3
InChIKey
NZMZFBFHNYJTPY-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

194.03592 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 138.1
[M+Na]+ 217.025138 149.8
[M-H]- 193.028644 139.8
[M+NH4]+ 212.069743 154.8
[M+K]+ 232.999078 145.2
[M+H-H2O]+ 177.033180 128.8
[M+HCOO]- 239.034121 154.9
[M+CH3COO]- 253.049771 151.2
[M+Na-2H]- 215.010586 144.4
[M]+ 194.03537142 140.2
[M]- 194.03646858 140.2
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