CID 11630874

As-252424

Structural Information

Molecular Formula
C14H8FNO4S
SMILES
C1=CC(=C(C=C1F)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3
InChI
InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
InChIKey
OYYVWNDMOQPMGE-SDQBBNPISA-N
Compound name
(5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

1611
Patents

305.0158 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.02308 170.2
[M+Na]+ 328.00502 180.6
[M+NH4]+ 323.04962 175.9
[M+K]+ 343.97896 177.3
[M-H]- 304.00852 172.4
[M+Na-2H]- 325.99047 173.2
[M]+ 305.01525 172.3
[M]- 305.01635 172.3
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