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

45
Patents

163.04333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.050606 127.8
[M+Na]+ 186.032548 137.7
[M-H]- 162.036054 133.1
[M+NH4]+ 181.077153 147.7
[M+K]+ 202.006488 136.2
[M+H-H2O]+ 146.040590 120.3
[M+HCOO]- 208.041531 151.7
[M+CH3COO]- 222.057181 142.7
[M+Na-2H]- 184.017996 135.6
[M]+ 163.04278142 127.8
[M]- 163.04387858 127.8
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