CID 135526302

4-thiazolidinone, 2-((3,4-dichlorophenyl)imino)-

Structural Information

Molecular Formula
C9H6Cl2N2OS
SMILES
C1C(=O)NC(=NC2=CC(=CC(=C2)Cl)Cl)S1
InChI
InChI=1S/C9H6Cl2N2OS/c10-5-1-6(11)3-7(2-5)12-9-13-8(14)4-15-9/h1-3H,4H2,(H,12,13,14)
InChIKey
AEDXNCABBKMGQO-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9578 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.96508 153.8
[M+Na]+ 282.94702 164.2
[M-H]- 258.95052 159.2
[M+NH4]+ 277.99162 172.8
[M+K]+ 298.92096 157.6
[M+H-H2O]+ 242.95506 148.7
[M+HCOO]- 304.95600 163.0
[M+CH3COO]- 318.97165 166.1
[M+Na-2H]- 280.93247 153.7
[M]+ 259.95725 155.1
[M]- 259.95835 155.1
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

No patent data available for this compound.