CID 68869

Flunoxaprofen

Structural Information

Molecular Formula
C16H12FNO3
SMILES
C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKey
ARPYQKTVRGFPIS-VIFPVBQESA-N
Compound name
(2S)-2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

6458
Patents

285.0801 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08738 163.4
[M+Na]+ 308.06932 177.3
[M+NH4]+ 303.11392 170.3
[M+K]+ 324.04326 173.3
[M-H]- 284.07282 166.2
[M+Na-2H]- 306.05477 169.6
[M]+ 285.07955 166.1
[M]- 285.08065 166.1
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