CID 1550107

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

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
1
Annotation Hits

2
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]+ 268.07683 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
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.