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-bromopyridin-4-yl)-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]+ 276.96410 138.5
[M+Na]+ 298.94604 152.8
[M-H]- 274.94954 146.4
[M+NH4]+ 293.99064 160.5
[M+K]+ 314.91998 141.7
[M+H-H2O]+ 258.95408 139.4
[M+HCOO]- 320.95502 154.5
[M+CH3COO]- 334.97067 154.4
[M+Na-2H]- 296.93149 144.3
[M]+ 275.95627 158.7
[M]- 275.95737 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.