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

7
Annotation Hits: 25
References: 30891
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	152.2
[M+Na]+	268.90804	164.6
[M+NH4]+	263.95264	160.3
[M+K]+	284.88198	157.6
[M-H]-	244.91154	151.6
[M+Na-2H]-	266.89349	156.5
[M]+	245.91827	155.0
[M]-	245.91937	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe