CID 122706092

(2z,4e)-2-hydroxy-6-oxo-6-phenoxyhexa-2,4-dienoate

Structural Information

Molecular Formula
C12H10O5
SMILES
C1=CC=C(C=C1)OC(=O)/C=C/C=C(/C(=O)O)\O
InChI
InChI=1S/C12H10O5/c13-10(12(15)16)7-4-8-11(14)17-9-5-2-1-3-6-9/h1-8,13H,(H,15,16)/b8-4+,10-7-
InChIKey
WJHUWUBBCVIVJJ-BLQYPLODSA-N
Compound name
(2Z,4E)-2-hydroxy-6-oxo-6-phenoxyhexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

234.05283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.060106 150.1
[M+Na]+ 257.042048 155.6
[M-H]- 233.045554 150.6
[M+NH4]+ 252.086653 165.8
[M+K]+ 273.015988 153.0
[M+H-H2O]+ 217.050090 144.0
[M+HCOO]- 279.051031 169.5
[M+CH3COO]- 293.066681 182.8
[M+Na-2H]- 255.027496 152.0
[M]+ 234.05228142 149.5
[M]- 234.05337858 149.5
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

No patent data available for this compound.