CID 5278387

2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanone

Structural Information

Molecular Formula
C15H8F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(=O)C3=CC=C(C=C3)F)(F)F
InChI
InChI=1S/C15H8F3NO2/c16-10-7-5-9(6-8-10)13(20)15(17,18)14-19-11-3-1-2-4-12(11)21-14/h1-8H
InChIKey
KOEXHHCUWVYEAE-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.05072 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05800 159.8
[M+Na]+ 314.03994 170.9
[M-H]- 290.04344 163.9
[M+NH4]+ 309.08454 175.4
[M+K]+ 330.01388 166.9
[M+H-H2O]+ 274.04798 150.0
[M+HCOO]- 336.04892 178.4
[M+CH3COO]- 350.06457 199.8
[M+Na-2H]- 312.02539 165.7
[M]+ 291.05017 160.0
[M]- 291.05127 160.0
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.