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]+ 260.93278 140.6
[M+Na]+ 282.91472 155.6
[M-H]- 258.91822 149.0
[M+NH4]+ 277.95932 163.3
[M+K]+ 298.88866 145.1
[M+H-H2O]+ 242.92276 141.4
[M+HCOO]- 304.92370 157.7
[M+CH3COO]- 318.93935 187.1
[M+Na-2H]- 280.90017 142.1
[M]+ 259.92495 160.9
[M]- 259.92605 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.