CID 2546224

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

Structural Information

Molecular Formula
C11H8ClNO2S
SMILES
C1C(=O)N/C(=C/C(=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)/b11-5-
InChIKey
JRGMCBIWDZWFLJ-WZUFQYTHSA-N
Compound name
(2Z)-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]+ 254.00371 154.0
[M+Na]+ 275.98565 162.9
[M-H]- 251.98915 158.4
[M+NH4]+ 271.03025 172.2
[M+K]+ 291.95959 156.6
[M+H-H2O]+ 235.99369 148.6
[M+HCOO]- 297.99463 164.9
[M+CH3COO]- 312.01028 185.2
[M+Na-2H]- 273.97110 152.6
[M]+ 252.99588 153.8
[M]- 252.99698 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.