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

37
Patents

278.87564 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.882916 134.2
[M+Na]+ 301.864858 152.4
[M-H]- 277.868364 142.2
[M+NH4]+ 296.909463 159.8
[M+K]+ 317.838798 139.5
[M+H-H2O]+ 261.872900 137.4
[M+HCOO]- 323.873841 148.3
[M+CH3COO]- 337.889491 151.8
[M+Na-2H]- 299.850306 142.1
[M]+ 278.87509142 159.4
[M]- 278.87618858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe