CID 3024634

96733-53-8

Structural Information

Molecular Formula
C12H9ClN2OS2
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=NC=CS3
InChI
InChI=1S/C12H9ClN2OS2/c13-9-4-2-1-3-8(9)11-15(10(16)7-18-11)12-14-5-6-17-12/h1-6,11H,7H2
InChIKey
YGGLZTLIDMUYLU-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99178 164.0
[M+Na]+ 318.97372 176.0
[M-H]- 294.97722 172.6
[M+NH4]+ 314.01832 182.6
[M+K]+ 334.94766 170.0
[M+H-H2O]+ 278.98176 158.4
[M+HCOO]- 340.98270 172.6
[M+CH3COO]- 354.99835 176.5
[M+Na-2H]- 316.95917 160.2
[M]+ 295.98395 167.4
[M]- 295.98505 167.4
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.