CID 64625266

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

Structural Information

Molecular Formula

C₃H₃BrN₂OS

SMILES

COC1=NN=C(S1)Br

InChI

InChI=1S/C3H3BrN2OS/c1-7-3-6-5-2(4)8-3/h1H3

InChIKey

AXTQMPBAOSRIHJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.91495 Da
Monoisotopic Mass: 1.7
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]+	194.92223	119.5
[M+Na]+	216.90417	134.7
[M-H]-	192.90767	124.7
[M+NH4]+	211.94877	143.1
[M+K]+	232.87811	124.9
[M+H-H2O]+	176.91221	120.1
[M+HCOO]-	238.91315	137.5
[M+CH3COO]-	252.92880	176.8
[M+Na-2H]-	214.88962	126.3
[M]+	193.91440	141.7
[M]-	193.91550	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.