CID 53440048

4,6-dichloro-2-(2-methoxyphenyl)pyrimidine

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
COC1=CC=CC=C1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O/c1-16-8-5-3-2-4-7(8)11-14-9(12)6-10(13)15-11/h2-6H,1H3
InChIKey
AZBDVWYFUCOXOH-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(2-methoxyphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.00137 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00865 149.1
[M+Na]+ 276.99059 160.7
[M-H]- 252.99409 152.8
[M+NH4]+ 272.03519 165.0
[M+K]+ 292.96453 154.8
[M+H-H2O]+ 236.99863 141.6
[M+HCOO]- 298.99957 162.0
[M+CH3COO]- 313.01522 161.8
[M+Na-2H]- 274.97604 155.4
[M]+ 254.00082 153.6
[M]- 254.00192 153.6
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.