CID 20437

4407-40-3

Structural Information

Molecular Formula

C₅H₆ClN₃S₂

SMILES

CSC1=NC(=NC(=N1)Cl)SC

InChI

InChI=1S/C5H6ClN3S2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3

InChIKey

ZPHLQJFYCYTLLX-UHFFFAOYSA-N

Compound name

2-chloro-4,6-bis(methylsulfanyl)-1,3,5-triazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 131
Patents: 206.96916 Da
Monoisotopic Mass: 2.6
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]+	207.976436	132.6
[M+Na]+	229.958378	144.6
[M-H]-	205.961884	133.1
[M+NH4]+	225.002983	149.9
[M+K]+	245.932318	139.2
[M+H-H2O]+	189.966420	126.9
[M+HCOO]-	251.967361	139.1
[M+CH3COO]-	265.983011	145.4
[M+Na-2H]-	227.943826	134.8
[M]+	206.96861142	137.4
[M]-	206.96970858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe