CID 12832889

Refchem:520948

Structural Information

Molecular Formula
C7H8Cl2N2O
SMILES
COCC1=CC(=NC(=N1)CCl)Cl
InChI
InChI=1S/C7H8Cl2N2O/c1-12-4-5-2-6(9)11-7(3-8)10-5/h2H,3-4H2,1H3
InChIKey
NNIUALBUDQSKMA-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-6-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00137 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00865 136.5
[M+Na]+ 228.99059 147.5
[M-H]- 204.99409 136.9
[M+NH4]+ 224.03519 154.5
[M+K]+ 244.96453 143.2
[M+H-H2O]+ 188.99863 130.6
[M+HCOO]- 250.99957 149.3
[M+CH3COO]- 265.01522 183.6
[M+Na-2H]- 226.97604 143.2
[M]+ 206.00082 141.4
[M]- 206.00192 141.4
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.