CID 513072

1-pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(4-fluorophenyl)-

Structural Information

Molecular Formula
C20H20FNO3
SMILES
C1COC(=N1)C2=CC=C(C=C2)OCCCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20FNO3/c21-17-8-4-15(5-9-17)19(23)3-1-2-13-24-18-10-6-16(7-11-18)20-22-12-14-25-20/h4-11H,1-3,12-14H2
InChIKey
IBRKEZWTRQYMAV-UHFFFAOYSA-N
Compound name
5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14273 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15001 180.3
[M+Na]+ 364.13195 186.2
[M-H]- 340.13545 187.5
[M+NH4]+ 359.17655 192.1
[M+K]+ 380.10589 182.6
[M+H-H2O]+ 324.13999 169.9
[M+HCOO]- 386.14093 199.8
[M+CH3COO]- 400.15658 209.7
[M+Na-2H]- 362.11740 181.2
[M]+ 341.14218 181.9
[M]- 341.14328 181.9
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.