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 145.9
[M+Na]+ 251.05911 157.7
[M-H]- 227.06261 152.6
[M+NH4]+ 246.10371 164.1
[M+K]+ 267.03305 153.6
[M+H-H2O]+ 211.06715 137.8
[M+HCOO]- 273.06809 170.1
[M+CH3COO]- 287.08374 160.1
[M+Na-2H]- 249.04456 153.3
[M]+ 228.06934 146.9
[M]- 228.07044 146.9
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.