CID 43173636

5-chloro-1,3-benzothiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H3Cl2NO2S2
SMILES
C1=CC(=C(C2=C1SC=N2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H3Cl2NO2S2/c8-4-1-2-5-6(10-3-13-5)7(4)14(9,11)12/h1-3H
InChIKey
JZAWJILQDJACID-UHFFFAOYSA-N
Compound name
5-chloro-1,3-benzothiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.89822 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.905496 149.9
[M+Na]+ 289.887438 164.2
[M-H]- 265.890944 154.6
[M+NH4]+ 284.932043 170.7
[M+K]+ 305.861378 158.0
[M+H-H2O]+ 249.895480 147.3
[M+HCOO]- 311.896421 155.0
[M+CH3COO]- 325.912071 163.6
[M+Na-2H]- 287.872886 153.4
[M]+ 266.89767142 158.1
[M]- 266.89876858 158.1
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