CID 2844307

4-thiazolidinone, 5-[[5-(2-chloro-5-nitrophenyl)-2-furanyl]methylene]-2-thioxo-

Structural Information

Molecular Formula
C14H7ClN2O4S2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)S3)Cl
InChI
InChI=1S/C14H7ClN2O4S2/c15-10-3-1-7(17(19)20)5-9(10)11-4-2-8(21-11)6-12-13(18)16-14(22)23-12/h1-6H,(H,16,18,22)
InChIKey
YCQNONXHICAOQA-UHFFFAOYSA-N
Compound name
5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.95358 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.96086 184.0
[M+Na]+ 388.94280 192.8
[M-H]- 364.94630 192.8
[M+NH4]+ 383.98740 197.4
[M+K]+ 404.91674 182.0
[M+H-H2O]+ 348.95084 183.8
[M+HCOO]- 410.95178 191.8
[M+CH3COO]- 424.96743 198.8
[M+Na-2H]- 386.92825 181.7
[M]+ 365.95303 184.1
[M]- 365.95413 184.1
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