CID 66618449

1-(5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl)ethanone

Structural Information

Molecular Formula
C11H9F2NO2
SMILES
CC(=O)C1=NOC(C1)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H9F2NO2/c1-6(15)9-5-10(16-14-9)11-7(12)3-2-4-8(11)13/h2-4,10H,5H2,1H3
InChIKey
QSAVFYHNMVEIET-UHFFFAOYSA-N
Compound name
1-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

225.06013 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06741 151.0
[M+Na]+ 248.04935 162.2
[M+NH4]+ 243.09395 157.3
[M+K]+ 264.02329 158.5
[M-H]- 224.05285 151.8
[M+Na-2H]- 246.03480 155.5
[M]+ 225.05958 152.5
[M]- 225.06068 152.5
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

patents stripe