CID 5287855

(5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C11H5F2NO4S
SMILES
C1=CC2=C(C=C1/C=C\3/C(=O)NC(=O)S3)OC(O2)(F)F
InChI
InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
InChIKey
SRLVNYDXMUGOFI-YWEYNIOJSA-N
Compound name
(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

259
Patents

284.99072 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.99800 154.5
[M+Na]+ 307.97994 166.3
[M-H]- 283.98344 159.5
[M+NH4]+ 303.02454 173.3
[M+K]+ 323.95388 163.6
[M+H-H2O]+ 267.98798 149.6
[M+HCOO]- 329.98892 167.2
[M+CH3COO]- 344.00457 167.3
[M+Na-2H]- 305.96539 155.4
[M]+ 284.99017 155.0
[M]- 284.99127 155.0
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

patents stripe