CID 11366215

2-(3-fluorophenyl)-1,3-benzoxazole

Structural Information

Molecular Formula
C13H8FNO
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)F
InChI
InChI=1S/C13H8FNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
InChIKey
CVPWQTJXZQGYLA-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

213.05899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06627 140.9
[M+Na]+ 236.04821 152.7
[M-H]- 212.05171 147.7
[M+NH4]+ 231.09281 160.1
[M+K]+ 252.02215 149.1
[M+H-H2O]+ 196.05625 133.0
[M+HCOO]- 258.05719 164.8
[M+CH3COO]- 272.07284 155.6
[M+Na-2H]- 234.03366 149.5
[M]+ 213.05844 143.1
[M]- 213.05954 143.1
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