CID 6478852

(z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-isoxazol-3-yl-prop-2-en-1-one

Structural Information

Molecular Formula
C17H12FNO4
SMILES
C1=CC(=CC=C1CC2=CC=C(O2)C(=O)/C=C(/C3=NOC=C3)\O)F
InChI
InChI=1S/C17H12FNO4/c18-12-3-1-11(2-4-12)9-13-5-6-17(23-13)16(21)10-15(20)14-7-8-22-19-14/h1-8,10,20H,9H2/b15-10-
InChIKey
WNIDNJWMHAZFMM-GDNBJRDFSA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1,2-oxazol-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.07504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08232 168.7
[M+Na]+ 336.06426 177.3
[M-H]- 312.06776 177.0
[M+NH4]+ 331.10886 181.6
[M+K]+ 352.03820 175.2
[M+H-H2O]+ 296.07230 160.8
[M+HCOO]- 358.07324 189.8
[M+CH3COO]- 372.08889 199.9
[M+Na-2H]- 334.04971 169.6
[M]+ 313.07449 171.9
[M]- 313.07559 171.9
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.