CID 211686

23517-45-5

Structural Information

Molecular Formula
C10H8INOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)I
InChI
InChI=1S/C10H8INOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKey
DADXDQGOZNXDAW-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.9092 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.91648 153.7
[M+Na]+ 371.89842 157.5
[M-H]- 347.90192 152.8
[M+NH4]+ 366.94302 168.4
[M+K]+ 387.87236 158.1
[M+H-H2O]+ 331.90646 144.8
[M+HCOO]- 393.90740 161.5
[M+CH3COO]- 407.92305 197.4
[M+Na-2H]- 369.88387 140.2
[M]+ 348.90865 152.5
[M]- 348.90975 152.5
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.