CID 1369930

Schembl623749

Structural Information

Molecular Formula
C14H8ClNO2S2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)S3
InChI
InChI=1S/C14H8ClNO2S2/c15-9-3-1-2-8(6-9)11-5-4-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)/b12-7+
InChIKey
QRVTWPJZFXYJFK-KPKJPENVSA-N
Compound name
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

320.9685 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.97578 172.5
[M+Na]+ 343.95772 184.4
[M-H]- 319.96122 181.8
[M+NH4]+ 339.00232 189.5
[M+K]+ 359.93166 177.3
[M+H-H2O]+ 303.96576 168.6
[M+HCOO]- 365.96670 180.1
[M+CH3COO]- 379.98235 184.5
[M+Na-2H]- 341.94317 167.9
[M]+ 320.96795 175.1
[M]- 320.96905 175.1
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