CID 83070

Rhodanine, 3-(4-chlorophenyl)-

Structural Information

Molecular Formula
C9H6ClNOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H6ClNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
JRWQAQZBEVDDQC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

8
Patents

242.95793 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.965206 147.9
[M+Na]+ 265.947148 159.3
[M-H]- 241.950654 154.2
[M+NH4]+ 260.991753 168.0
[M+K]+ 281.921088 153.0
[M+H-H2O]+ 225.955190 143.3
[M+HCOO]- 287.956131 156.1
[M+CH3COO]- 301.971781 161.0
[M+Na-2H]- 263.932596 146.1
[M]+ 242.95738142 150.1
[M]- 242.95847858 150.1
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