CID 1550109

4-(4-fluorobenzylidene)-2-phenyloxazol-5(4h)-one

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

2
References

1
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

patents stripe