CID 503748

2-(2,6-difluorophenyl)-3-(m-tolyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H13F2NOS
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C16H13F2NOS/c1-10-4-2-5-11(8-10)19-14(20)9-21-16(19)15-12(17)6-3-7-13(15)18/h2-8,16H,9H2,1H3
InChIKey
MUCLYJGVYKFZEM-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.0686 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07588 165.8
[M+Na]+ 328.05782 176.4
[M-H]- 304.06132 172.7
[M+NH4]+ 323.10242 182.3
[M+K]+ 344.03176 170.0
[M+H-H2O]+ 288.06586 156.6
[M+HCOO]- 350.06680 181.0
[M+CH3COO]- 364.08245 177.7
[M+Na-2H]- 326.04327 163.0
[M]+ 305.06805 164.7
[M]- 305.06915 164.7
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.