CID 5287855

As-604850

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
1
Annotation Hits

28
References

246
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 163.3
[M+Na]+ 307.97994 171.9
[M+NH4]+ 303.02454 170.1
[M+K]+ 323.95388 167.6
[M-H]- 283.98344 163.6
[M+Na-2H]- 305.96539 164.6
[M]+ 284.99017 164.8
[M]- 284.99127 164.8
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