CID 22343

3-(p-chlorophenyl)-5-methylrhodanine

Structural Information

Molecular Formula
C10H8ClNOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKey
IBWJXVVIEGGYGU-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3438
Patents

256.97357 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.98085 154.6
[M+Na]+ 279.96279 167.7
[M+NH4]+ 275.00739 164.1
[M+K]+ 295.93673 158.0
[M-H]- 255.96629 158.1
[M+Na-2H]- 277.94824 159.4
[M]+ 256.97302 158.7
[M]- 256.97412 158.7
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