CID 24322

Trichloromelamine

Structural Information

Molecular Formula

C₃H₃Cl₃N₆

SMILES

C1(=NC(=NC(=N1)NCl)NCl)NCl

InChI

InChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)

InChIKey

KEPNSIARSTUPGS-UHFFFAOYSA-N

Compound name

2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1651
Patents: 227.94847 Da
Monoisotopic Mass: 1.3
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]+	228.95575	139.7
[M+Na]+	250.93769	152.3
[M+NH4]+	245.98229	146.7
[M+K]+	266.91163	146.0
[M-H]-	226.94119	140.8
[M+Na-2H]-	248.92314	146.7
[M]+	227.94792	142.3
[M]-	227.94902	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe