CID 65647945

4-chloro-6-(1-methyl-1h-pyrazol-5-yl)pyrimidine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
CN1C(=CC=N1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H7ClN4/c1-13-7(2-3-12-13)6-4-8(9)11-5-10-6/h2-5H,1H3
InChIKey
WMZVOJSQTPUCPQ-UHFFFAOYSA-N
Compound name
4-chloro-6-(2-methylpyrazol-3-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

194.03592 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 137.9
[M+Na]+ 217.02514 153.7
[M+NH4]+ 212.06974 146.1
[M+K]+ 232.99908 148.2
[M-H]- 193.02864 139.9
[M+Na-2H]- 215.01059 147.1
[M]+ 194.03537 141.0
[M]- 194.03647 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.