CID 207607

30279-51-7

Structural Information

Molecular Formula
C11H11BrN2O4S
SMILES
CC1CC(=O)N(C1=O)C2=C(C=C(C=C2)S(=O)(=O)N)Br
InChI
InChI=1S/C11H11BrN2O4S/c1-6-4-10(15)14(11(6)16)9-3-2-7(5-8(9)12)19(13,17)18/h2-3,5-6H,4H2,1H3,(H2,13,17,18)
InChIKey
WMDQTIGLDOMQOU-UHFFFAOYSA-N
Compound name
3-bromo-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.96228 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.96956 159.7
[M+Na]+ 368.95150 173.0
[M-H]- 344.95500 168.3
[M+NH4]+ 363.99610 177.7
[M+K]+ 384.92544 160.5
[M+H-H2O]+ 328.95954 159.5
[M+HCOO]- 390.96048 174.7
[M+CH3COO]- 404.97613 204.9
[M+Na-2H]- 366.93695 161.5
[M]+ 345.96173 179.6
[M]- 345.96283 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.