CID 2774719

5-(4-fluorophenyl)isoxazole

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC(=CC=C1C2=CC=NO2)F
InChI
InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
InChIKey
JZCBQTRPILCIBC-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

163.04333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05061 131.5
[M+Na]+ 186.03255 145.5
[M+NH4]+ 181.07715 140.3
[M+K]+ 202.00649 140.5
[M-H]- 162.03605 135.2
[M+Na-2H]- 184.01800 140.1
[M]+ 163.04278 134.5
[M]- 163.04388 134.5
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