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

14
Patents

252.02211 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02939 150.9
[M+Na]+ 275.01133 162.1
[M-H]- 251.01483 154.2
[M+NH4]+ 270.05593 166.9
[M+K]+ 290.98527 155.4
[M+H-H2O]+ 235.01937 143.2
[M+HCOO]- 297.02031 163.2
[M+CH3COO]- 311.03596 163.2
[M+Na-2H]- 272.99678 156.6
[M]+ 252.02156 154.3
[M]- 252.02266 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