CID 1382446

74942-49-7

Structural Information

Molecular Formula
C10H6ClNO2S
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=O)S2)Cl
InChI
InChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+
InChIKey
OTTGINRZTJUWBT-VMPITWQZSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.98077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98805 149.4
[M+Na]+ 261.96999 159.9
[M-H]- 237.97349 154.3
[M+NH4]+ 257.01459 168.6
[M+K]+ 277.94393 153.4
[M+H-H2O]+ 221.97803 144.3
[M+HCOO]- 283.97897 161.5
[M+CH3COO]- 297.99462 182.5
[M+Na-2H]- 259.95544 148.9
[M]+ 238.98022 149.8
[M]- 238.98132 149.8
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