CID 59802

103968-87-2

Structural Information

Molecular Formula
C11H11Cl2NO5S
SMILES
CN(C)S(=O)(=O)C1=C(C(=C2C(=C1)CC(O2)C(=O)O)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO5S/c1-14(2)20(17,18)7-4-5-3-6(11(15)16)19-10(5)9(13)8(7)12/h4,6H,3H2,1-2H3,(H,15,16)
InChIKey
ZTFUDCAAHOVUPH-UHFFFAOYSA-N
Compound name
6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

18
Patents

338.9735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.98078 170.8
[M+Na]+ 361.96272 181.0
[M+NH4]+ 357.00732 177.2
[M+K]+ 377.93666 177.3
[M-H]- 337.96622 171.4
[M+Na-2H]- 359.94817 172.1
[M]+ 338.97295 173.2
[M]- 338.97405 173.2
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