CID 2735459

2,1,3-benzothiadiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClN2O2S2
SMILES
C1=CC2=NSN=C2C(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChIKey
CXAICGCTHOWKPP-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

411
Patents

233.93245 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.93973 143.2
[M+Na]+ 256.92167 157.3
[M-H]- 232.92517 146.7
[M+NH4]+ 251.96627 163.4
[M+K]+ 272.89561 152.1
[M+H-H2O]+ 216.92971 139.0
[M+HCOO]- 278.93065 152.4
[M+CH3COO]- 292.94630 157.2
[M+Na-2H]- 254.90712 148.3
[M]+ 233.93190 150.3
[M]- 233.93300 150.3
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