CID 79194891

5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole

Structural Information

Molecular Formula

C₆H₉ClN₂OS

SMILES

CC(C)(C1=NSC(=N1)Cl)OC

InChI

InChI=1S/C6H9ClN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3

InChIKey

IMDSTMKBEFZQGL-UHFFFAOYSA-N

Compound name

5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 192.0124 Da
Monoisotopic Mass: 2.0
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]+	193.01968	140.5
[M+Na]+	215.00162	152.3
[M+NH4]+	210.04622	148.9
[M+K]+	230.97556	146.5
[M-H]-	191.00512	140.5
[M+Na-2H]-	212.98707	145.2
[M]+	192.01185	142.9
[M]-	192.01295	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe