CID 513668

2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(3-methylphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H12ClF4NOS
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC(=C3F)Cl)C(F)(F)F
InChI
InChI=1S/C17H12ClF4NOS/c1-9-3-2-4-10(7-9)23-13(24)8-25-16(23)14-11(17(20,21)22)5-6-12(18)15(14)19/h2-7,16H,8H2,1H3
InChIKey
IFXOUGATLWIMEN-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.02643 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03371 182.6
[M+Na]+ 412.01565 194.5
[M-H]- 388.01915 186.9
[M+NH4]+ 407.06025 196.7
[M+K]+ 427.98959 186.2
[M+H-H2O]+ 372.02369 172.4
[M+HCOO]- 434.02463 189.0
[M+CH3COO]- 448.04028 215.9
[M+Na-2H]- 410.00110 178.0
[M]+ 389.02588 181.7
[M]- 389.02698 181.7
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.