CID 50987374

1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C7H5BrN2O2S
SMILES
C1CC(=O)N(C1=O)C2=NC=C(S2)Br
InChI
InChI=1S/C7H5BrN2O2S/c8-4-3-9-7(13-4)10-5(11)1-2-6(10)12/h3H,1-2H2
InChIKey
KNPVDHYVSUYHBN-UHFFFAOYSA-N
Compound name
1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9255 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.932776 140.6
[M+Na]+ 282.914718 155.6
[M-H]- 258.918224 149.0
[M+NH4]+ 277.959323 163.3
[M+K]+ 298.888658 145.1
[M+H-H2O]+ 242.922760 141.4
[M+HCOO]- 304.923701 157.7
[M+CH3COO]- 318.939351 187.1
[M+Na-2H]- 280.900166 142.1
[M]+ 259.92495142 160.9
[M]- 259.92604858 160.9
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.