CID 5278386

Ethanone, 2-(2-benzoxazolyl)-2,2-difluoro-1-phenyl-

Structural Information

Molecular Formula
C15H9F2NO2
SMILES
C1=CC=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3O2)(F)F
InChI
InChI=1S/C15H9F2NO2/c16-15(17,13(19)10-6-2-1-3-7-10)14-18-11-8-4-5-9-12(11)20-14/h1-9H
InChIKey
BYIBVFHNJJHXHW-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06740 156.7
[M+Na]+ 296.04934 166.8
[M-H]- 272.05284 161.8
[M+NH4]+ 291.09394 172.8
[M+K]+ 312.02328 163.3
[M+H-H2O]+ 256.05738 147.7
[M+HCOO]- 318.05832 176.4
[M+CH3COO]- 332.07397 169.3
[M+Na-2H]- 294.03479 163.9
[M]+ 273.05957 157.5
[M]- 273.06067 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.