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]+ 235.06011 150.4
[M+Na]+ 257.04205 155.1
[M-H]- 233.04555 149.5
[M+NH4]+ 252.08665 165.2
[M+K]+ 273.01599 152.2
[M+H-H2O]+ 217.05009 144.6
[M+HCOO]- 279.05103 167.3
[M+CH3COO]- 293.06668 182.1
[M+Na-2H]- 255.02750 150.6
[M]+ 234.05228 147.4
[M]- 234.05338 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.