CID 117260859

2,4-dichloro-5-cyclohexylpyrimidine

Structural Information

Molecular Formula
C10H12Cl2N2
SMILES
C1CCC(CC1)C2=CN=C(N=C2Cl)Cl
InChI
InChI=1S/C10H12Cl2N2/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey
AKLCEUWGFZZVJF-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-cyclohexylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

230.03775 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04503 147.1
[M+Na]+ 253.02697 162.7
[M+NH4]+ 248.07157 156.8
[M+K]+ 269.00091 153.7
[M-H]- 229.03047 150.9
[M+Na-2H]- 251.01242 155.7
[M]+ 230.03720 151.0
[M]- 230.03830 151.0
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.