CID 1275778

301687-87-6

Structural Information

Molecular Formula
C15H8F3NO2S2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)S3
InChI
InChI=1S/C15H8F3NO2S2/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(21-11)7-12-13(20)19-14(22)23-12/h1-7H,(H,19,20,22)/b12-7+
InChIKey
QUPFKBITVLIQNA-KPKJPENVSA-N
Compound name
(5E)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

222
Patents

354.99484 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00212 175.4
[M+Na]+ 377.98406 186.6
[M-H]- 353.98756 180.5
[M+NH4]+ 373.02866 190.1
[M+K]+ 393.95800 179.8
[M+H-H2O]+ 337.99210 168.5
[M+HCOO]- 399.99304 182.8
[M+CH3COO]- 414.00869 185.9
[M+Na-2H]- 375.96951 170.7
[M]+ 354.99429 173.2
[M]- 354.99539 173.2
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

patents stripe