CID 54094790

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

Structural Information

Molecular Formula

C₄H₅ClN₂OS

SMILES

COCC1=NSC(=N1)Cl

InChI

InChI=1S/C4H5ClN2OS/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3

InChIKey

MWIYXXRAXAJXAM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.98111 Da
Monoisotopic Mass: 1.4
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]+	164.98839	127.2
[M+Na]+	186.97033	138.7
[M-H]-	162.97383	129.1
[M+NH4]+	182.01493	148.9
[M+K]+	202.94427	136.2
[M+H-H2O]+	146.97837	121.8
[M+HCOO]-	208.97931	141.9
[M+CH3COO]-	222.99496	172.7
[M+Na-2H]-	184.95578	130.6
[M]+	163.98056	132.6
[M]-	163.98166	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe