CID 211691

Rhodanine, 3-(3-chloro-4-iodophenyl)-

Structural Information

Molecular Formula
C9H5ClINOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)I)Cl
InChI
InChI=1S/C9H5ClINOS2/c10-6-3-5(1-2-7(6)11)12-8(13)4-15-9(12)14/h1-3H,4H2
InChIKey
NOEHQZDCBDHPCY-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.85458 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.86186 154.4
[M+Na]+ 391.84380 159.1
[M-H]- 367.84730 153.8
[M+NH4]+ 386.88840 169.1
[M+K]+ 407.81774 158.6
[M+H-H2O]+ 351.85184 146.4
[M+HCOO]- 413.85278 158.3
[M+CH3COO]- 427.86843 163.2
[M+Na-2H]- 389.82925 141.2
[M]+ 368.85403 154.5
[M]- 368.85513 154.5
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.