CID 130752392

2-(2-bromopyridin-4-yl)-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula
C8H9BrN2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=CC(=NC=C2)Br
InChI
InChI=1S/C8H9BrN2O2S/c9-8-6-7(2-3-10-8)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5H2
InChIKey
JPEKBAWDBIMKRY-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.95682 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.964096 138.5
[M+Na]+ 298.946038 152.8
[M-H]- 274.949544 146.4
[M+NH4]+ 293.990643 160.5
[M+K]+ 314.919978 141.7
[M+H-H2O]+ 258.954080 139.4
[M+HCOO]- 320.955021 154.5
[M+CH3COO]- 334.970671 154.4
[M+Na-2H]- 296.931486 144.3
[M]+ 275.95627142 158.7
[M]- 275.95736858 158.7
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.