CID 1550109

3l8uw4dlj7

Structural Information

Molecular Formula

C₁₆H₁₀FNO₂

SMILES

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

InChI

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

InChIKey

GGMAOSAZKMNBHB-GXDHUFHOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
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]+	268.07683	157.7
[M+Na]+	290.05877	167.3
[M-H]-	266.06227	166.1
[M+NH4]+	285.10337	173.1
[M+K]+	306.03271	162.9
[M+H-H2O]+	250.06681	148.6
[M+HCOO]-	312.06775	179.7
[M+CH3COO]-	326.08340	170.5
[M+Na-2H]-	288.04422	161.2
[M]+	267.06900	156.9
[M]-	267.07010	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe