CID 2139242

606957-27-1

Structural Information

Molecular Formula
C17H9BrFN3OS
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)F
InChI
InChI=1S/C17H9BrFN3OS/c18-12-7-5-10(6-8-12)15-20-17-22(21-15)16(23)14(24-17)9-11-3-1-2-4-13(11)19/h1-9H/b14-9-
InChIKey
QNYJRDLIMZZMHD-ZROIWOOFSA-N
Compound name
(5Z)-2-(4-bromophenyl)-5-[(2-fluorophenyl)methylidene]-[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

400.96338 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.97066 180.5
[M+Na]+ 423.95260 186.7
[M+NH4]+ 418.99720 184.6
[M+K]+ 439.92654 185.7
[M-H]- 399.95610 182.4
[M+Na-2H]- 421.93805 185.0
[M]+ 400.96283 181.2
[M]- 400.96393 181.2
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.