CID 12679020

5-(1-bromoethyl)-4-methyl-1,2,3-thiadiazole

Structural Information

Molecular Formula

C₅H₇BrN₂S

SMILES

CC1=C(SN=N1)C(C)Br

InChI

InChI=1S/C5H7BrN2S/c1-3(6)5-4(2)7-8-9-5/h3H,1-2H3

InChIKey

VZGGITJMDGUMAX-UHFFFAOYSA-N

Compound name

5-(1-bromoethyl)-4-methylthiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.95132 Da
Monoisotopic Mass: 1.8
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	128.6
[M+Na]+	228.94054	131.1
[M+NH4]+	223.98514	133.8
[M+K]+	244.91448	131.9
[M-H]-	204.94404	128.2
[M+Na-2H]-	226.92599	131.2
[M]+	205.95077	128.0
[M]-	205.95187	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.