CID 680816

Nsc634475

Structural Information

Molecular Formula
C16H9FN2OS
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)F
InChI
InChI=1S/C16H9FN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-
InChIKey
ZBFXKXFADLCTFZ-ZROIWOOFSA-N
Compound name
(2Z)-2-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

296.04196 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04924 164.3
[M+Na]+ 319.03118 180.1
[M-H]- 295.03468 171.8
[M+NH4]+ 314.07578 184.3
[M+K]+ 335.00512 172.8
[M+H-H2O]+ 279.03922 157.2
[M+HCOO]- 341.04016 184.4
[M+CH3COO]- 355.05581 178.4
[M+Na-2H]- 317.01663 166.9
[M]+ 296.04141 170.8
[M]- 296.04251 170.8
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.