CID 49768026

2-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiazolidin-4-one

Structural Information

Molecular Formula
C16H10Cl2F3NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H10Cl2F3NOS/c17-11-5-2-6-12(18)14(11)15-22(13(23)8-24-15)10-4-1-3-9(7-10)16(19,20)21/h1-7,15H,8H2
InChIKey
JUHOJXRFNDHAOL-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.98123 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.98851 181.6
[M+Na]+ 413.97045 193.2
[M-H]- 389.97395 186.5
[M+NH4]+ 409.01505 195.9
[M+K]+ 429.94439 184.7
[M+H-H2O]+ 373.97849 172.7
[M+HCOO]- 435.97943 184.4
[M+CH3COO]- 449.99508 191.6
[M+Na-2H]- 411.95590 178.0
[M]+ 390.98068 182.2
[M]- 390.98178 182.2
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.