CID 582085

21521-90-4

Structural Information

Molecular Formula

C₆H₈ClN₃OS

SMILES

CCC1=NN=C(S1)NC(=O)CCl

InChI

InChI=1S/C6H8ClN3OS/c1-2-5-9-10-6(12-5)8-4(11)3-7/h2-3H2,1H3,(H,8,10,11)

InChIKey

GBCHYYJDLIXCPN-UHFFFAOYSA-N

Compound name

2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.00766 Da
Monoisotopic Mass: 1.3
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]+	206.01494	140.4
[M+Na]+	227.99688	150.1
[M-H]-	204.00038	142.0
[M+NH4]+	223.04148	159.9
[M+K]+	243.97082	146.6
[M+H-H2O]+	188.00492	134.2
[M+HCOO]-	250.00586	154.5
[M+CH3COO]-	264.02151	182.6
[M+Na-2H]-	225.98233	142.3
[M]+	205.00711	144.4
[M]-	205.00821	144.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.