CID 4868407

2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C11H8ClNO2S
SMILES
C1C(=O)NC(=CC(=O)C2=CC(=CC=C2)Cl)S1
InChI
InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)9(14)5-11-13-10(15)6-16-11/h1-5H,6H2,(H,13,15)
InChIKey
JRGMCBIWDZWFLJ-UHFFFAOYSA-N
Compound name
2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.99643 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.003706 154.0
[M+Na]+ 275.985648 162.9
[M-H]- 251.989154 158.4
[M+NH4]+ 271.030253 172.2
[M+K]+ 291.959588 156.6
[M+H-H2O]+ 235.993690 148.6
[M+HCOO]- 297.994631 164.9
[M+CH3COO]- 312.010281 185.2
[M+Na-2H]- 273.971096 152.6
[M]+ 252.99588142 153.8
[M]- 252.99697858 153.8
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

No patent data available for this compound.