CID 165764146

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

Structural Information

Molecular Formula
C16H11F3N2O3
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=O)O3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2O3/c17-16(18,19)13-4-2-1-3-11(13)9-23-12-7-5-10(6-8-12)14-20-21-15(22)24-14/h1-8H,9H2,(H,21,22)
InChIKey
OHXXGWCFCDNPPD-UHFFFAOYSA-N
Compound name
5-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.07217 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07945 171.8
[M+Na]+ 359.06139 181.8
[M-H]- 335.06489 175.3
[M+NH4]+ 354.10599 182.2
[M+K]+ 375.03533 176.9
[M+H-H2O]+ 319.06943 160.2
[M+HCOO]- 381.07037 188.4
[M+CH3COO]- 395.08602 203.5
[M+Na-2H]- 357.04684 175.5
[M]+ 336.07162 170.4
[M]- 336.07272 170.4
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.