CID 17432

Etridiazole

Structural Information

Molecular Formula

C₅H₅Cl₃N₂OS

SMILES

CCOC1=NC(=NS1)C(Cl)(Cl)Cl

InChI

InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

InChIKey

KQTVWCSONPJJPE-UHFFFAOYSA-N

Compound name

5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 25
References: 32287
Patents: 245.91882 Da
Monoisotopic Mass: 2.5
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]+	246.92610	146.7
[M+Na]+	268.90804	157.5
[M-H]-	244.91154	147.1
[M+NH4]+	263.95264	165.1
[M+K]+	284.88198	153.2
[M+H-H2O]+	228.91608	142.1
[M+HCOO]-	290.91702	148.7
[M+CH3COO]-	304.93267	185.7
[M+Na-2H]-	266.89349	148.2
[M]+	245.91827	151.7
[M]-	245.91937	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe