CID 4300147

Iflab1_003365

Structural Information

Molecular Formula
C16H10ClF4NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H10ClF4NOS/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
TYXXWOBKOVAUQU-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.01077 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01805 178.2
[M+Na]+ 397.99999 189.8
[M-H]- 374.00349 182.4
[M+NH4]+ 393.04459 192.7
[M+K]+ 413.97393 181.6
[M+H-H2O]+ 358.00803 168.0
[M+HCOO]- 420.00897 185.1
[M+CH3COO]- 434.02462 211.8
[M+Na-2H]- 395.98544 174.8
[M]+ 375.01022 176.6
[M]- 375.01132 176.6
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.