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]+ 231.04503 147.3
[M+Na]+ 253.02697 155.4
[M-H]- 229.03047 149.6
[M+NH4]+ 248.07157 163.6
[M+K]+ 269.00091 149.8
[M+H-H2O]+ 213.03501 139.7
[M+HCOO]- 275.03595 156.1
[M+CH3COO]- 289.05160 158.4
[M+Na-2H]- 251.01242 151.6
[M]+ 230.03720 145.3
[M]- 230.03830 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.