CID 188399

128851-55-8

Structural Information

Molecular Formula
C11H7ClN2O5S
SMILES
C1C(=O)NC(=O)N1S(=O)(=O)C2=C(C3=CC=CC=C3O2)Cl
InChI
InChI=1S/C11H7ClN2O5S/c12-9-6-3-1-2-4-7(6)19-10(9)20(17,18)14-5-8(15)13-11(14)16/h1-4H,5H2,(H,13,15,16)
InChIKey
QYFQMSHWVIKPSY-UHFFFAOYSA-N
Compound name
1-[(3-chloro-1-benzofuran-2-yl)sulfonyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

313.9764 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98368 166.1
[M+Na]+ 336.96562 179.2
[M-H]- 312.96912 172.7
[M+NH4]+ 332.01022 182.6
[M+K]+ 352.93956 175.2
[M+H-H2O]+ 296.97366 162.1
[M+HCOO]- 358.97460 177.2
[M+CH3COO]- 372.99025 194.4
[M+Na-2H]- 334.95107 167.9
[M]+ 313.97585 172.9
[M]- 313.97695 172.9
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