CID 65239970

5-[4-(difluoromethoxy)phenyl]-1,2-oxazole

Structural Information

Molecular Formula
C10H7F2NO2
SMILES
C1=CC(=CC=C1C2=CC=NO2)OC(F)F
InChI
InChI=1S/C10H7F2NO2/c11-10(12)14-8-3-1-7(2-4-8)9-5-6-13-15-9/h1-6,10H
InChIKey
LBNCEHQZKIXOBF-UHFFFAOYSA-N
Compound name
5-[4-(difluoromethoxy)phenyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.051756 139.0
[M+Na]+ 234.033698 148.1
[M-H]- 210.037204 142.9
[M+NH4]+ 229.078303 156.7
[M+K]+ 250.007638 146.8
[M+H-H2O]+ 194.041740 130.2
[M+HCOO]- 256.042681 160.7
[M+CH3COO]- 270.058331 184.0
[M+Na-2H]- 232.019146 144.4
[M]+ 211.04393142 139.1
[M]- 211.04502858 139.1
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.