CID 510681

Benzenebutanoic acid, 2-(4-fluorophenoxy)-a,g-dioxo-

Structural Information

Molecular Formula
C16H11FO5
SMILES
C1=CC=C(C(=C1)C(=O)CC(=O)C(=O)O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C16H11FO5/c17-10-5-7-11(8-6-10)22-15-4-2-1-3-12(15)13(18)9-14(19)16(20)21/h1-8H,9H2,(H,20,21)
InChIKey
SWMJJPKONHLEOP-UHFFFAOYSA-N
Compound name
4-[2-(4-fluorophenoxy)phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05905 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06633 163.8
[M+Na]+ 325.04827 170.5
[M-H]- 301.05177 168.0
[M+NH4]+ 320.09287 177.3
[M+K]+ 341.02221 167.7
[M+H-H2O]+ 285.05631 155.2
[M+HCOO]- 347.05725 183.5
[M+CH3COO]- 361.07290 201.1
[M+Na-2H]- 323.03372 164.9
[M]+ 302.05850 164.6
[M]- 302.05960 164.6
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.