CID 1416309

Nsc409319

Structural Information

Molecular Formula
C10H6INOS2
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=S)S2)I
InChI
InChI=1S/C10H6INOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKey
QILWDFJPHOOANR-YVMONPNESA-N
Compound name
(5Z)-5-[(2-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.89355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.90083 155.3
[M+Na]+ 369.88277 158.3
[M-H]- 345.88627 152.7
[M+NH4]+ 364.92737 169.0
[M+K]+ 385.85671 157.3
[M+H-H2O]+ 329.89081 146.4
[M+HCOO]- 391.89175 161.8
[M+CH3COO]- 405.90740 163.0
[M+Na-2H]- 367.86822 141.9
[M]+ 346.89300 151.2
[M]- 346.89410 151.2
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

No patent data available for this compound.