CID 65274018

5-bromo-3-propyl-1,2,4-thiadiazole

Structural Information

Molecular Formula

C₅H₇BrN₂S

SMILES

CCCC1=NSC(=N1)Br

InChI

InChI=1S/C5H7BrN2S/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3

InChIKey

WIOYJDOLTKPSGJ-UHFFFAOYSA-N

Compound name

5-bromo-3-propyl-1,2,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.95132 Da
Monoisotopic Mass: 3.0
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]+	206.95860	129.9
[M+Na]+	228.94054	132.7
[M+NH4]+	223.98514	135.2
[M+K]+	244.91448	132.7
[M-H]-	204.94404	129.6
[M+Na-2H]-	226.92599	132.6
[M]+	205.95077	129.4
[M]-	205.95187	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.