CID 19690713

4,6-dichloro-5-ethyl-2-phenylpyrimidine

Structural Information

Molecular Formula
C12H10Cl2N2
SMILES
CCC1=C(N=C(N=C1Cl)C2=CC=CC=C2)Cl
InChI
InChI=1S/C12H10Cl2N2/c1-2-9-10(13)15-12(16-11(9)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
IRDIXCNNPSHTMT-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-ethyl-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

252.02211 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.029386 150.9
[M+Na]+ 275.011328 162.1
[M-H]- 251.014834 154.2
[M+NH4]+ 270.055933 166.9
[M+K]+ 290.985268 155.4
[M+H-H2O]+ 235.019370 143.2
[M+HCOO]- 297.020311 163.2
[M+CH3COO]- 311.035961 163.2
[M+Na-2H]- 272.996776 156.6
[M]+ 252.02156142 154.3
[M]- 252.02265858 154.3
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

patents stripe