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 143.9
[M+Na]+ 248.04935 153.7
[M-H]- 224.05285 148.1
[M+NH4]+ 243.09395 161.5
[M+K]+ 264.02329 151.8
[M+H-H2O]+ 208.05739 135.5
[M+HCOO]- 270.05833 164.0
[M+CH3COO]- 284.07398 188.8
[M+Na-2H]- 246.03480 146.4
[M]+ 225.05958 143.0
[M]- 225.06068 143.0
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

patents stripe