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]+ 212.05176 139.0
[M+Na]+ 234.03370 148.1
[M-H]- 210.03720 142.9
[M+NH4]+ 229.07830 156.7
[M+K]+ 250.00764 146.8
[M+H-H2O]+ 194.04174 130.2
[M+HCOO]- 256.04268 160.7
[M+CH3COO]- 270.05833 184.0
[M+Na-2H]- 232.01915 144.4
[M]+ 211.04393 139.1
[M]- 211.04503 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.