CID 1397802

5-{[5-(2,3-dichlorophenyl)(2-furyl)]methylene}-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C14H7Cl2NO2S2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)S3
InChI
InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)/b11-6+
InChIKey
WVMZZSRDJRQJDI-IZZDOVSWSA-N
Compound name
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.92953 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.93681 180.1
[M+Na]+ 377.91875 192.6
[M-H]- 353.92225 189.0
[M+NH4]+ 372.96335 196.3
[M+K]+ 393.89269 184.8
[M+H-H2O]+ 337.92679 176.8
[M+HCOO]- 399.92773 182.5
[M+CH3COO]- 413.94338 191.3
[M+Na-2H]- 375.90420 174.1
[M]+ 354.92898 183.9
[M]- 354.93008 183.9
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

patents stripe