CID 211687

23517-46-6

Structural Information

Molecular Formula
C11H10INOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)I
InChI
InChI=1S/C11H10INOS2/c1-2-9-10(14)13(11(15)16-9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3
InChIKey
UWKAJFCNLXNHGA-UHFFFAOYSA-N
Compound name
5-ethyl-3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.92484 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.93212 158.2
[M+Na]+ 385.91406 161.6
[M-H]- 361.91756 157.1
[M+NH4]+ 380.95866 172.3
[M+K]+ 401.88800 161.9
[M+H-H2O]+ 345.92210 149.0
[M+HCOO]- 407.92304 165.6
[M+CH3COO]- 421.93869 200.1
[M+Na-2H]- 383.89951 144.2
[M]+ 362.92429 157.2
[M]- 362.92539 157.2
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.