CID 2795170

1,3-benzothiazole-6-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClNO2S2
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)SC=N2
InChI
InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H
InChIKey
XQOLJTWXFUSVOR-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

232.9372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.944476 144.0
[M+Na]+ 255.926418 157.7
[M-H]- 231.929924 148.8
[M+NH4]+ 250.971023 165.6
[M+K]+ 271.900358 152.3
[M+H-H2O]+ 215.934460 140.4
[M+HCOO]- 277.935401 154.1
[M+CH3COO]- 291.951051 158.2
[M+Na-2H]- 253.911866 148.8
[M]+ 232.93665142 151.2
[M]- 232.93774858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe