CID 6482984

3-(2-furylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H8F5NO2S
SMILES
C1C(=O)N(C(S1)C2=C(C(=C(C(=C2F)F)F)F)F)CC3=CC=CO3
InChI
InChI=1S/C14H8F5NO2S/c15-9-8(10(16)12(18)13(19)11(9)17)14-20(7(21)5-23-14)4-6-2-1-3-22-6/h1-3,14H,4-5H2
InChIKey
SCQHBPNLFKZCJP-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.0196 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02688 169.0
[M+Na]+ 372.00882 182.1
[M-H]- 348.01232 173.8
[M+NH4]+ 367.05342 184.7
[M+K]+ 387.98276 177.0
[M+H-H2O]+ 332.01686 159.3
[M+HCOO]- 394.01780 181.9
[M+CH3COO]- 408.03345 210.0
[M+Na-2H]- 369.99427 162.6
[M]+ 349.01905 167.9
[M]- 349.02015 167.9
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.