CID 100339

Rhodanine, 3-(p-iodophenyl)-

Structural Information

Molecular Formula
C9H6INOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)I
InChI
InChI=1S/C9H6INOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
VISGEZPFIGHFLQ-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.89355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.90083 150.5
[M+Na]+ 357.88277 154.0
[M-H]- 333.88627 149.4
[M+NH4]+ 352.92737 165.4
[M+K]+ 373.85671 154.7
[M+H-H2O]+ 317.89081 141.4
[M+HCOO]- 379.89175 158.6
[M+CH3COO]- 393.90740 159.2
[M+Na-2H]- 355.86822 137.9
[M]+ 334.89300 148.5
[M]- 334.89410 148.5
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

patents stripe