CID 23636976

3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid

Structural Information

Molecular Formula
C12H8F2O4
SMILES
C1=CC(=CC=C1C(=O)/C=C/C(=C(\C(=O)O)/O)/F)F
InChI
InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9-
InChIKey
CPZFGNOKCMJZFO-BTHQEHEQSA-N
Compound name
(2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03906 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04634 151.1
[M+Na]+ 277.02828 157.5
[M-H]- 253.03178 149.2
[M+NH4]+ 272.07288 166.1
[M+K]+ 293.00222 153.9
[M+H-H2O]+ 237.03632 143.7
[M+HCOO]- 299.03726 167.2
[M+CH3COO]- 313.05291 188.9
[M+Na-2H]- 275.01373 150.0
[M]+ 254.03851 146.7
[M]- 254.03961 146.7
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

No patent data available for this compound.