CID 46318478

5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole

Structural Information

Molecular Formula

C₅H₇ClN₂OS

SMILES

COCCC1=NSC(=N1)Cl

InChI

InChI=1S/C5H7ClN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3

InChIKey

MKAOOWRIYBWSMA-UHFFFAOYSA-N

Compound name

5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 177.99677 Da
Monoisotopic Mass: 1.9
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]+	179.00405	134.0
[M+Na]+	200.98599	146.3
[M+NH4]+	196.03059	142.8
[M+K]+	216.95993	139.6
[M-H]-	176.98949	134.6
[M+Na-2H]-	198.97144	139.1
[M]+	177.99622	136.5
[M]-	177.99732	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe