CID 510791

4-(4-fluorophenyl)-2,4-dioxobutanoic acid

Structural Information

Molecular Formula
C10H7FO4
SMILES
C1=CC(=CC=C1C(=O)CC(=O)C(=O)O)F
InChI
InChI=1S/C10H7FO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
InChIKey
SVVJJZMCLPHDOZ-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

210.03284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04012 139.6
[M+Na]+ 233.02206 147.0
[M-H]- 209.02556 140.8
[M+NH4]+ 228.06666 157.3
[M+K]+ 248.99600 145.3
[M+H-H2O]+ 193.03010 133.1
[M+HCOO]- 255.03104 159.8
[M+CH3COO]- 269.04669 183.8
[M+Na-2H]- 231.00751 141.9
[M]+ 210.03229 139.0
[M]- 210.03339 139.0
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.