CID 455304

4-chloro-6-[dichloro-(4-methoxyphenyl)methyl]-2-methoxy-pyrimidine

Structural Information

Molecular Formula
C13H11Cl3N2O2
SMILES
COC1=CC=C(C=C1)C(C2=CC(=NC(=N2)OC)Cl)(Cl)Cl
InChI
InChI=1S/C13H11Cl3N2O2/c1-19-9-5-3-8(4-6-9)13(15,16)10-7-11(14)18-12(17-10)20-2/h3-7H,1-2H3
InChIKey
KIGIEFOHRKGCLD-UHFFFAOYSA-N
Compound name
4-chloro-6-[dichloro-(4-methoxyphenyl)methyl]-2-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.98862 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.99590 167.1
[M+Na]+ 354.97784 177.8
[M-H]- 330.98134 169.7
[M+NH4]+ 350.02244 179.9
[M+K]+ 370.95178 172.0
[M+H-H2O]+ 314.98588 159.7
[M+HCOO]- 376.98682 172.4
[M+CH3COO]- 391.00247 205.3
[M+Na-2H]- 352.96329 171.9
[M]+ 331.98807 173.3
[M]- 331.98917 173.3
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.