CID 13092656

78587-59-4

Structural Information

Molecular Formula
C10H10ClNOS
SMILES
CC1C(SC(=O)N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)
InChIKey
IPCDQNZFHKSICG-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

18
Patents

227.01717 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02445 147.0
[M+Na]+ 250.00639 157.1
[M-H]- 226.00989 151.8
[M+NH4]+ 245.05099 166.9
[M+K]+ 265.98033 151.3
[M+H-H2O]+ 210.01443 141.9
[M+HCOO]- 272.01537 158.6
[M+CH3COO]- 286.03102 159.8
[M+Na-2H]- 247.99184 146.4
[M]+ 227.01662 147.5
[M]- 227.01772 147.5
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.