CID 717947

N-(1,3-benzothiazol-2-yl)-2-fluorobenzamide

Structural Information

Molecular Formula
C14H9FN2OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)F
InChI
InChI=1S/C14H9FN2OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-8H,(H,16,17,18)
InChIKey
DEQNAFCKIIITOT-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

272.04196 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04924 156.1
[M+Na]+ 295.03118 169.8
[M+NH4]+ 290.07578 165.0
[M+K]+ 311.00512 162.0
[M-H]- 271.03468 159.8
[M+Na-2H]- 293.01663 164.7
[M]+ 272.04141 159.6
[M]- 272.04251 159.6
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

patents stripe