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
2
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 160.1
[M+Na]+ 305.97845 171.2
[M-H]- 281.98195 166.2
[M+NH4]+ 301.02305 178.9
[M+K]+ 321.95239 163.6
[M+H-H2O]+ 265.98649 155.3
[M+HCOO]- 327.98743 167.4
[M+CH3COO]- 342.00308 194.8
[M+Na-2H]- 303.96390 156.3
[M]+ 282.98868 162.9
[M]- 282.98978 162.9
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.