CID 79617116

4,6-dichloro-2-(1-methoxyethyl)pyrimidine

Structural Information

Molecular Formula
C7H8Cl2N2O
SMILES
CC(C1=NC(=CC(=N1)Cl)Cl)OC
InChI
InChI=1S/C7H8Cl2N2O/c1-4(12-2)7-10-5(8)3-6(9)11-7/h3-4H,1-2H3
InChIKey
JULSPDFQDUUWSL-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(1-methoxyethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00137 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00865 135.8
[M+Na]+ 228.99059 146.6
[M-H]- 204.99409 136.5
[M+NH4]+ 224.03519 153.8
[M+K]+ 244.96453 142.7
[M+H-H2O]+ 188.99863 130.2
[M+HCOO]- 250.99957 147.8
[M+CH3COO]- 265.01522 184.4
[M+Na-2H]- 226.97604 141.5
[M]+ 206.00082 140.2
[M]- 206.00192 140.2
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.