CID 5467385

Nsc651835

Structural Information

Molecular Formula
C12H10O5
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)/C=C(/C(=O)O)\O)/O
InChI
InChI=1S/C12H10O5/c13-9(7-11(15)12(16)17)6-10(14)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17)/b10-6-,11-7-
InChIKey
HYOKDRLDBBNYJL-SQXCDDPUSA-N
Compound name
(2Z,5Z)-2,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.060106 150.4
[M+Na]+ 257.042048 155.1
[M-H]- 233.045554 149.5
[M+NH4]+ 252.086653 165.2
[M+K]+ 273.015988 152.2
[M+H-H2O]+ 217.050090 144.6
[M+HCOO]- 279.051031 167.3
[M+CH3COO]- 293.066681 182.1
[M+Na-2H]- 255.027496 150.6
[M]+ 234.05228142 147.4
[M]- 234.05337858 147.4
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.