CID 25058770

2-(2,6-difluorophenyl)-3-[(5-methyl-2-furyl)methyl]thiazolidin-4-one

Structural Information

Molecular Formula
C15H13F2NO2S
SMILES
CC1=CC=C(O1)CN2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H13F2NO2S/c1-9-5-6-10(20-9)7-18-13(19)8-21-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3
InChIKey
NLPQIRLGNSJMBC-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-[(5-methylfuran-2-yl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.0635 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07078 166.3
[M+Na]+ 332.05272 177.4
[M-H]- 308.05622 174.5
[M+NH4]+ 327.09732 183.4
[M+K]+ 348.02666 173.5
[M+H-H2O]+ 292.06076 158.8
[M+HCOO]- 354.06170 182.3
[M+CH3COO]- 368.07735 179.0
[M+Na-2H]- 330.03817 162.2
[M]+ 309.06295 168.0
[M]- 309.06405 168.0
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

No patent data available for this compound.