CID 1550107

2-oxazolin-5-one, 4-(m-fluorobenzylidene)-2-phenyl-

Structural Information

Molecular Formula

C₁₆H₁₀FNO₂

SMILES

C1=CC=C(C=C1)C2=N/C(=C/C3=CC(=CC=C3)F)/C(=O)O2

InChI

InChI=1S/C16H10FNO2/c17-13-8-4-5-11(9-13)10-14-16(19)20-15(18-14)12-6-2-1-3-7-12/h1-10H/b14-10+

InChIKey

LEYZNNGXVVKDGN-GXDHUFHOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 0
Patents: 267.06955 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.