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

literature stripe

Patent stripe

patents stripe