CID 2060721

606957-08-8

Structural Information

Molecular Formula
C17H9ClFN3OS
SMILES
C1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/SC3=N2
InChI
InChI=1S/C17H9ClFN3OS/c18-12-7-4-8-13(19)11(12)9-14-16(23)22-17(24-14)20-15(21-22)10-5-2-1-3-6-10/h1-9H/b14-9-
InChIKey
MXEURDTVLJGADG-ZROIWOOFSA-N
Compound name
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.0139 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02118 178.7
[M+Na]+ 380.00312 195.7
[M+NH4]+ 375.04772 186.8
[M+K]+ 395.97706 187.9
[M-H]- 356.00662 182.6
[M+Na-2H]- 377.98857 187.2
[M]+ 357.01335 183.0
[M]- 357.01445 183.0
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

No patent data available for this compound.