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]+ 267.90550 149.9
[M+Na]+ 289.88744 164.2
[M-H]- 265.89094 154.6
[M+NH4]+ 284.93204 170.7
[M+K]+ 305.86138 158.0
[M+H-H2O]+ 249.89548 147.3
[M+HCOO]- 311.89642 155.0
[M+CH3COO]- 325.91207 163.6
[M+Na-2H]- 287.87289 153.4
[M]+ 266.89767 158.1
[M]- 266.89877 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