CID 2060178

606956-89-2

Structural Information

Molecular Formula
C17H8BrCl2N3OS
SMILES
C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)Cl
InChI
InChI=1S/C17H8BrCl2N3OS/c18-10-6-4-9(5-7-10)15-21-17-23(22-15)16(24)14(25-17)8-11-12(19)2-1-3-13(11)20/h1-8H/b14-8-
InChIKey
UHFJADBMTLCXQZ-ZSOIEALJSA-N
Compound name
(5Z)-2-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.89484 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.90212 189.2
[M+Na]+ 473.88406 197.9
[M+NH4]+ 468.92866 194.3
[M+K]+ 489.85800 195.2
[M-H]- 449.88756 192.4
[M+Na-2H]- 471.86951 194.1
[M]+ 450.89429 191.3
[M]- 450.89539 191.3
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

No patent data available for this compound.