CID 25269942

2-(4-fluorophenyl)-1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C13H9FN2O
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)N)F
InChI
InChI=1S/C13H9FN2O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChIKey
HVFPDOLMDLRRSY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.06989 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07717 147.3
[M+Na]+ 251.05911 162.5
[M+NH4]+ 246.10371 156.1
[M+K]+ 267.03305 156.9
[M-H]- 227.06261 152.4
[M+Na-2H]- 249.04456 155.9
[M]+ 228.06934 151.0
[M]- 228.07044 151.0
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.