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

0
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]+ 231.045026 147.3
[M+Na]+ 253.026968 155.4
[M-H]- 229.030474 149.6
[M+NH4]+ 248.071573 163.6
[M+K]+ 269.000908 149.8
[M+H-H2O]+ 213.035010 139.7
[M+HCOO]- 275.035951 156.1
[M+CH3COO]- 289.051601 158.4
[M+Na-2H]- 251.012416 151.6
[M]+ 230.03720142 145.3
[M]- 230.03829858 145.3
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

No patent data available for this compound.