CID 2787053

Mls002639376

Structural Information

Molecular Formula
C10H6ClNOS2
SMILES
C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)Cl
InChI
InChI=1S/C10H6ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
InChIKey
AAIBSXUAGRXSIQ-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

254.95793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96521 152.2
[M+Na]+ 277.94715 162.9
[M-H]- 253.95065 156.9
[M+NH4]+ 272.99175 171.0
[M+K]+ 293.92109 154.9
[M+H-H2O]+ 237.95519 147.8
[M+HCOO]- 299.95613 158.7
[M+CH3COO]- 313.97178 164.1
[M+Na-2H]- 275.93260 149.5
[M]+ 254.95738 152.1
[M]- 254.95848 152.1
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

patents stripe