CID 53438121

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

Structural Information

Molecular Formula
C6H6Cl2N2O
SMILES
COCC1=NC(=CC(=N1)Cl)Cl
InChI
InChI=1S/C6H6Cl2N2O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKey
JEGIGVNQAHMOII-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

191.98572 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.992996 131.9
[M+Na]+ 214.974938 143.3
[M-H]- 190.978444 132.4
[M+NH4]+ 210.019543 150.4
[M+K]+ 230.948878 139.2
[M+H-H2O]+ 174.982980 126.2
[M+HCOO]- 236.983921 145.0
[M+CH3COO]- 250.999571 180.6
[M+Na-2H]- 212.960386 139.1
[M]+ 191.98517142 136.4
[M]- 191.98626858 136.4
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

patents stripe