CID 26202

2,4-dichloro-6-(methylthio)-1,3,5-triazine

Structural Information

Molecular Formula

C₄H₃Cl₂N₃S

SMILES

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

InChI

InChI=1S/C4H3Cl2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3

InChIKey

MWPZLWRHHPWTFS-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-methylsulfanyl-1,3,5-triazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 129
Patents: 194.94247 Da
Monoisotopic Mass: 2.7
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]+	195.949746	129.2
[M+Na]+	217.931688	141.5
[M-H]-	193.935194	129.1
[M+NH4]+	212.976293	146.9
[M+K]+	233.905628	136.8
[M+H-H2O]+	177.939730	123.6
[M+HCOO]-	239.940671	136.3
[M+CH3COO]-	253.956321	142.4
[M+Na-2H]-	215.917136	133.7
[M]+	194.94192142	133.6
[M]-	194.94301858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe