CID 1201197

300378-68-1

Structural Information

Molecular Formula
C14H11Cl2NO3S2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O
InChI
InChI=1S/C14H11Cl2NO3S2/c15-9-4-3-8(10(16)7-9)6-11-13(20)17(14(21)22-11)5-1-2-12(18)19/h3-4,6-7H,1-2,5H2,(H,18,19)/b11-6-
InChIKey
AQGPIVNFUZOOAI-WDZFZDKYSA-N
Compound name
4-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

374.95575 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.96303 179.0
[M+Na]+ 397.94497 188.7
[M-H]- 373.94847 183.3
[M+NH4]+ 392.98957 193.5
[M+K]+ 413.91891 180.1
[M+H-H2O]+ 357.95301 175.3
[M+HCOO]- 419.95395 178.9
[M+CH3COO]- 433.96960 207.7
[M+Na-2H]- 395.93042 172.8
[M]+ 374.95520 183.5
[M]- 374.95630 183.5
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