CID 14154299

87476-69-5

Structural Information

Molecular Formula

C₇H₃BrClNO₂S

SMILES

C1=CC2=C(C=C1Br)S(=O)(=O)N=C2Cl

InChI

InChI=1S/C7H3BrClNO2S/c8-4-1-2-5-6(3-4)13(11,12)10-7(5)9/h1-3H

InChIKey

GCZATFRLSCYOLO-UHFFFAOYSA-N

Compound name

6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 278.87564 Da
Monoisotopic Mass: 2.4
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]+	279.88292	134.2
[M+Na]+	301.86486	152.4
[M-H]-	277.86836	142.2
[M+NH4]+	296.90946	159.8
[M+K]+	317.83880	139.5
[M+H-H2O]+	261.87290	137.4
[M+HCOO]-	323.87384	148.3
[M+CH3COO]-	337.88949	151.8
[M+Na-2H]-	299.85031	142.1
[M]+	278.87509	159.4
[M]-	278.87619	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe