CID 13669237

Isoxazolo(4,5-c)quinolin-3(2h)-one, 8-fluoro-2-phenyl-

Structural Information

Molecular Formula
C16H9FN2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3O2)F
InChI
InChI=1S/C16H9FN2O2/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(20)19(21-15)11-4-2-1-3-5-11/h1-9H
InChIKey
TXVJTYRZUCZKJM-UHFFFAOYSA-N
Compound name
8-fluoro-2-phenyl-[1,2]oxazolo[4,5-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.06482 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07210 159.6
[M+Na]+ 303.05404 173.1
[M-H]- 279.05754 166.4
[M+NH4]+ 298.09864 175.6
[M+K]+ 319.02798 167.9
[M+H-H2O]+ 263.06208 150.0
[M+HCOO]- 325.06302 180.8
[M+CH3COO]- 339.07867 173.0
[M+Na-2H]- 301.03949 167.3
[M]+ 280.06427 163.3
[M]- 280.06537 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe