CID 1309730

(5e)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C17H8Cl2FN3OS
SMILES
C1=CC(=CC(=C1)F)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C=C(C=C4)Cl)Cl)S2
InChI
InChI=1S/C17H8Cl2FN3OS/c18-10-4-5-12(13(19)8-10)15-21-17-23(22-15)16(24)14(25-17)7-9-2-1-3-11(20)6-9/h1-8H/b14-7+
InChIKey
TWNKIZQZOURMBH-VGOFMYFVSA-N
Compound name
(5E)-2-(2,4-dichlorophenyl)-5-[(3-fluorophenyl)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

390.9749 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.98218 186.9
[M+Na]+ 413.96412 203.3
[M-H]- 389.96762 194.4
[M+NH4]+ 409.00872 201.9
[M+K]+ 429.93806 193.9
[M+H-H2O]+ 373.97216 178.5
[M+HCOO]- 435.97310 195.3
[M+CH3COO]- 449.98875 198.7
[M+Na-2H]- 411.94957 184.2
[M]+ 390.97435 195.0
[M]- 390.97545 195.0
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.