CID 73510

4-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Structural Information

Molecular Formula
C16H10FNO2
SMILES
C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3F)C(=O)O2
InChI
InChI=1S/C16H10FNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H
InChIKey
KWHLRZLVGDQLNC-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.06955 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.076826 157.7
[M+Na]+ 290.058768 167.3
[M-H]- 266.062274 166.1
[M+NH4]+ 285.103373 173.1
[M+K]+ 306.032708 162.9
[M+H-H2O]+ 250.066810 148.6
[M+HCOO]- 312.067751 179.7
[M+CH3COO]- 326.083401 170.5
[M+Na-2H]- 288.044216 161.2
[M]+ 267.06900142 156.9
[M]- 267.07009858 156.9
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

No patent data available for this compound.