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: 1211
Patents: 178.96532 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe