CID 3022146

93553-57-2

Structural Information

Molecular Formula
C16H12Br2N2O4S
SMILES
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=CC(=C3)Br)Br
InChI
InChI=1S/C16H12Br2N2O4S/c17-10-5-9(6-11(18)7-10)14-8-15(21)20(16(14)22)12-1-3-13(4-2-12)25(19,23)24/h1-7,14H,8H2,(H2,19,23,24)
InChIKey
AFGGVXIQMLISLE-UHFFFAOYSA-N
Compound name
4-[3-(3,5-dibromophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.88846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.89574 171.1
[M+Na]+ 508.87768 182.3
[M-H]- 484.88118 181.8
[M+NH4]+ 503.92228 184.7
[M+K]+ 524.85162 166.0
[M+H-H2O]+ 468.88572 178.4
[M+HCOO]- 530.88666 181.8
[M+CH3COO]- 544.90231 227.6
[M+Na-2H]- 506.86313 173.2
[M]+ 485.88791 205.8
[M]- 485.88901 205.8
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.