CID 19267

2,4-dichloro-6-methoxy-1,3,5-triazine

Structural Information

Molecular Formula
C4H3Cl2N3O
SMILES
COC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKey
JKAPWXKZLYJQJJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1185
Patents

178.96532 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.97260 128.8
[M+Na]+ 201.95454 144.5
[M+NH4]+ 196.99914 137.0
[M+K]+ 217.92848 137.7
[M-H]- 177.95804 129.2
[M+Na-2H]- 199.93999 136.6
[M]+ 178.96477 131.7
[M]- 178.96587 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe