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

17
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

literature stripe

Patent stripe

patents stripe