CID 137965736

2,5-dichloro-1,3-benzothiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H2Cl3NO2S2
SMILES
C1=CC(=C(C2=C1SC(=N2)Cl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H2Cl3NO2S2/c8-3-1-2-4-5(11-7(9)14-4)6(3)15(10,12)13/h1-2H
InChIKey
AQIDWWNLLPPORD-UHFFFAOYSA-N
Compound name
2,5-dichloro-1,3-benzothiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.85925 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.86653 156.3
[M+Na]+ 323.84847 170.6
[M-H]- 299.85197 160.3
[M+NH4]+ 318.89307 175.8
[M+K]+ 339.82241 164.3
[M+H-H2O]+ 283.85651 154.4
[M+HCOO]- 345.85745 156.0
[M+CH3COO]- 359.87310 168.9
[M+Na-2H]- 321.83392 158.1
[M]+ 300.85870 164.4
[M]- 300.85980 164.4
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

No patent data available for this compound.