CID 312201

27282-80-0

Structural Information

Molecular Formula

C₄H₄Cl₂N₄

SMILES

CNC1=NC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C4H4Cl2N4/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H,7,8,9,10)

InChIKey

QRTBWWIIFMMESL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 306
Patents: 177.98131 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]+	178.98859	129.9
[M+Na]+	200.97053	141.2
[M-H]-	176.97403	129.1
[M+NH4]+	196.01513	147.2
[M+K]+	216.94447	136.9
[M+H-H2O]+	160.97857	123.3
[M+HCOO]-	222.97951	143.0
[M+CH3COO]-	236.99516	180.2
[M+Na-2H]-	198.95598	138.3
[M]+	177.98076	131.9
[M]-	177.98186	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe