CID 503754

2-(2,6-difluorophenyl)-3-(3-methoxyphenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H13F2NO2S
SMILES
COC1=CC=CC(=C1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C16H13F2NO2S/c1-21-11-5-2-4-10(8-11)19-14(20)9-22-16(19)15-12(17)6-3-7-13(15)18/h2-8,16H,9H2,1H3
InChIKey
BPHPSBRKXUDYML-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.0635 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07078 169.4
[M+Na]+ 344.05272 179.7
[M-H]- 320.05622 176.2
[M+NH4]+ 339.09732 185.1
[M+K]+ 360.02666 174.0
[M+H-H2O]+ 304.06076 160.0
[M+HCOO]- 366.06170 184.7
[M+CH3COO]- 380.07735 181.0
[M+Na-2H]- 342.03817 166.7
[M]+ 321.06295 169.7
[M]- 321.06405 169.7
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.