CID 145913849

2228685-36-5

Structural Information

Molecular Formula

C₃HBrClNO₂S₂

SMILES

C1=C(N=C(S1)Br)S(=O)(=O)Cl

InChI

InChI=1S/C3HBrClNO2S2/c4-3-6-2(1-9-3)10(5,7)8/h1H

InChIKey

FEHKOLVCXPPORT-UHFFFAOYSA-N

Compound name

2-bromo-1,3-thiazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 260.83206 Da
Monoisotopic Mass: 2.3
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]+	261.83934	127.2
[M+Na]+	283.82128	144.1
[M-H]-	259.82478	134.1
[M+NH4]+	278.86588	150.5
[M+K]+	299.79522	130.9
[M+H-H2O]+	243.82932	129.9
[M+HCOO]-	305.83026	135.9
[M+CH3COO]-	319.84591	183.0
[M+Na-2H]-	281.80673	132.7
[M]+	260.83151	150.4
[M]-	260.83261	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe