CID 165980987

5-{4-[(2,3,6-trifluorophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-one

Structural Information

Molecular Formula
C15H9F3N2O3
SMILES
C1=CC(=CC=C1C2=NNC(=O)O2)OCC3=C(C=CC(=C3F)F)F
InChI
InChI=1S/C15H9F3N2O3/c16-11-5-6-12(17)13(18)10(11)7-22-9-3-1-8(2-4-9)14-19-20-15(21)23-14/h1-6H,7H2,(H,20,21)
InChIKey
WCWQWHJNVRMDEZ-UHFFFAOYSA-N
Compound name
5-[4-[(2,3,6-trifluorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05652 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06380 167.1
[M+Na]+ 345.04574 179.0
[M-H]- 321.04924 171.2
[M+NH4]+ 340.09034 178.6
[M+K]+ 361.01968 173.7
[M+H-H2O]+ 305.05378 155.6
[M+HCOO]- 367.05472 185.7
[M+CH3COO]- 381.07037 178.6
[M+Na-2H]- 343.03119 168.9
[M]+ 322.05597 167.0
[M]- 322.05707 167.0
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.