CID 16985

2401-64-1

Structural Information

Molecular Formula

C₅H₆Cl₂N₄

SMILES

CN(C)C1=NC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C5H6Cl2N4/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3

InChIKey

ITRGRVVBODKGCW-UHFFFAOYSA-N

Compound name

4,6-dichloro-N,N-dimethyl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 191.99695 Da
Monoisotopic Mass: 2.8
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]+	193.00423	133.5
[M+Na]+	214.98617	144.6
[M-H]-	190.98967	134.1
[M+NH4]+	210.03077	150.9
[M+K]+	230.96011	141.4
[M+H-H2O]+	174.99421	126.5
[M+HCOO]-	236.99515	146.9
[M+CH3COO]-	251.01080	186.6
[M+Na-2H]-	212.97162	140.8
[M]+	191.99640	137.2
[M]-	191.99750	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe