CID 5749224

5-(p-chlorobenzylidene)-3-ethylrhodanine

Structural Information

Molecular Formula
C12H10ClNOS2
SMILES
CCN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/SC1=S
InChI
InChI=1S/C12H10ClNOS2/c1-2-14-11(15)10(17-12(14)16)7-8-3-5-9(13)6-4-8/h3-7H,2H2,1H3/b10-7-
InChIKey
VGKYCYJXUJDIAE-YFHOEESVSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.98923 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99651 163.1
[M+Na]+ 305.97845 175.8
[M+NH4]+ 301.02305 172.0
[M+K]+ 321.95239 165.6
[M-H]- 281.98195 166.3
[M+Na-2H]- 303.96390 167.4
[M]+ 282.98868 167.0
[M]- 282.98978 167.0
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

No patent data available for this compound.