CID 211723

23522-52-3

Structural Information

Molecular Formula
C11H10ClNOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H10ClNOS2/c1-2-9-10(14)13(11(15)16-9)8-5-3-4-7(12)6-8/h3-6,9H,2H2,1H3
InChIKey
IYHOFOWEHZBAEJ-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.98923 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99651 155.9
[M+Na]+ 293.97845 167.1
[M-H]- 269.98195 162.1
[M+NH4]+ 289.02305 175.1
[M+K]+ 309.95239 160.4
[M+H-H2O]+ 253.98649 151.2
[M+HCOO]- 315.98743 163.3
[M+CH3COO]- 330.00308 168.4
[M+Na-2H]- 291.96390 152.6
[M]+ 270.98868 159.2
[M]- 270.98978 159.2
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.