CID 12264929

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.96532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.97260 126.9
[M+Na]+ 201.95454 139.0
[M-H]- 177.95804 126.2
[M+NH4]+ 196.99914 144.5
[M+K]+ 217.92848 135.4
[M+H-H2O]+ 161.96258 120.5
[M+HCOO]- 223.96352 139.3
[M+CH3COO]- 237.97917 177.6
[M+Na-2H]- 199.93999 135.1
[M]+ 178.96477 131.0
[M]- 178.96587 131.0
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.