CID 497214

Chembl356190

Structural Information

Molecular Formula
C14H9BrF2N2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=NC(=CC=C3)Br
InChI
InChI=1S/C14H9BrF2N2OS/c15-10-5-2-6-11(18-10)19-12(20)7-21-14(19)13-8(16)3-1-4-9(13)17/h1-6,14H,7H2
InChIKey
MGIKECCQMKAOOF-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

369.9587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.96598 166.7
[M+Na]+ 392.94792 181.1
[M-H]- 368.95142 175.1
[M+NH4]+ 387.99252 183.4
[M+K]+ 408.92186 167.5
[M+H-H2O]+ 352.95596 164.4
[M+HCOO]- 414.95690 179.7
[M+CH3COO]- 428.97255 180.2
[M+Na-2H]- 390.93337 166.8
[M]+ 369.95815 184.4
[M]- 369.95925 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.