CID 2139197

5-(2-cl-6-fluorobenzylidene)-2-ph(1,3)thiazolo(3,2-b)(1,2,4)triazol-6(5h)-one

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-NTEUORMPSA-N
Compound name
(5E)-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

0
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 180.0
[M+Na]+ 380.00312 195.6
[M-H]- 356.00662 188.0
[M+NH4]+ 375.04772 195.7
[M+K]+ 395.97706 186.8
[M+H-H2O]+ 340.01116 171.4
[M+HCOO]- 402.01210 193.7
[M+CH3COO]- 416.02775 192.5
[M+Na-2H]- 377.98857 178.8
[M]+ 357.01335 186.7
[M]- 357.01445 186.7
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.