CID 12333156

2-bromo-4,5-dichlorothiazole

Structural Information

Molecular Formula

SMILES

C1(=C(SC(=N1)Br)Cl)Cl

InChI

InChI=1S/C3BrCl2NS/c4-3-7-1(5)2(6)8-3

InChIKey

FCFMMFHRNDCGHX-UHFFFAOYSA-N

Compound name

2-bromo-4,5-dichloro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.83119 Da
Monoisotopic Mass: 3.9
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]+	231.83847	124.7
[M+Na]+	253.82041	141.8
[M-H]-	229.82391	130.9
[M+NH4]+	248.86501	149.4
[M+K]+	269.79435	128.5
[M+H-H2O]+	213.82845	127.4
[M+HCOO]-	275.82939	134.1
[M+CH3COO]-	289.84504	141.8
[M+Na-2H]-	251.80586	129.7
[M]+	230.83064	147.0
[M]-	230.83174	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe