CID 164260

M 16209

Structural Information

Molecular Formula
C11H7BrN2O5S
SMILES
C1C(=O)NC(=O)N1S(=O)(=O)C2=C(C3=CC=CC=C3O2)Br
InChI
InChI=1S/C11H7BrN2O5S/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
ZJSUDHQFSBHLDV-UHFFFAOYSA-N
Compound name
1-[(3-bromo-1-benzofuran-2-yl)sulfonyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

309
Patents

357.9259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.93318 162.5
[M+Na]+ 380.91512 177.9
[M-H]- 356.91862 171.6
[M+NH4]+ 375.95972 180.4
[M+K]+ 396.88906 167.6
[M+H-H2O]+ 340.92316 164.6
[M+HCOO]- 402.92410 176.6
[M+CH3COO]- 416.93975 199.9
[M+Na-2H]- 378.90057 166.8
[M]+ 357.92535 185.8
[M]- 357.92645 185.8
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