CID 13615

933-20-0

Structural Information

Molecular Formula

C₃H₂Cl₂N₄

SMILES

C1(=NC(=NC(=N1)Cl)Cl)N

InChI

InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)

InChIKey

MCLXKFUCPVGZEN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1681
Patents: 163.96565 Da
Monoisotopic Mass: 1.5
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]+	164.97293	125.7
[M+Na]+	186.95487	137.5
[M-H]-	162.95837	124.6
[M+NH4]+	181.99947	143.3
[M+K]+	202.92881	133.1
[M+H-H2O]+	146.96291	119.4
[M+HCOO]-	208.96385	138.6
[M+CH3COO]-	222.97950	176.6
[M+Na-2H]-	184.94032	133.6
[M]+	163.96510	126.4
[M]-	163.96620	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe