CID 132690

6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid

Structural Information

Molecular Formula
C12H9ClO4
SMILES
C1=CC(=CC=C1C(=CC=CC(=O)C(=O)O)O)Cl
InChI
InChI=1S/C12H9ClO4/c13-9-6-4-8(5-7-9)10(14)2-1-3-11(15)12(16)17/h1-7,14H,(H,16,17)
InChIKey
AIUXSVZNECQYBE-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

252.01894 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02622 152.6
[M+Na]+ 275.00816 163.3
[M+NH4]+ 270.05276 158.1
[M+K]+ 290.98210 158.7
[M-H]- 251.01166 151.2
[M+Na-2H]- 272.99361 155.9
[M]+ 252.01839 153.5
[M]- 252.01949 153.5
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

patents stripe