CID 39869305

894259-20-2

Structural Information

Molecular Formula
C12H9F2NO4S
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)S2)OC(F)F
InChI
InChI=1S/C12H9F2NO4S/c1-18-8-4-6(2-3-7(8)19-11(13)14)5-9-10(16)15-12(17)20-9/h2-5,11H,1H3,(H,15,16,17)/b9-5+
InChIKey
WRFAYKGRGVRSAG-WEVVVXLNSA-N
Compound name
(5E)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.02203 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02931 161.3
[M+Na]+ 324.01125 170.3
[M-H]- 300.01475 163.4
[M+NH4]+ 319.05585 176.8
[M+K]+ 339.98519 165.7
[M+H-H2O]+ 284.01929 153.3
[M+HCOO]- 346.02023 174.7
[M+CH3COO]- 360.03588 196.5
[M+Na-2H]- 321.99670 158.0
[M]+ 301.02148 161.2
[M]- 301.02258 161.2
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.