CID 6478156

(5e)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]methylene]-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C15H7ClF3NO2S2
SMILES
C1=CC(=C(C=C1C(F)(F)F)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)S3)Cl
InChI
InChI=1S/C15H7ClF3NO2S2/c16-10-3-1-7(15(17,18)19)5-9(10)11-4-2-8(22-11)6-12-13(21)20-14(23)24-12/h1-6H,(H,20,21,23)/b12-6+
InChIKey
BPRSBRLAEGVZLR-WUXMJOGZSA-N
Compound name
(5E)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.95587 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.96315 182.5
[M+Na]+ 411.94509 194.8
[M-H]- 387.94859 188.0
[M+NH4]+ 406.98969 196.9
[M+K]+ 427.91903 186.8
[M+H-H2O]+ 371.95313 176.3
[M+HCOO]- 433.95407 185.3
[M+CH3COO]- 447.96972 192.8
[M+Na-2H]- 409.93054 176.8
[M]+ 388.95532 182.6
[M]- 388.95642 182.6
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

patents stripe