CID 72204238

Phenguignardate

Structural Information

Molecular Formula
C18H14O5
SMILES
C1=CC=C(C=C1)C[C@@]2(O/C(=C\C3=CC=CC=C3)/C(=O)O2)C(=O)O
InChI
InChI=1S/C18H14O5/c19-16-15(11-13-7-3-1-4-8-13)22-18(23-16,17(20)21)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)/b15-11-/t18-/m0/s1
InChIKey
OLOMGTHWMBYIQH-RXBGNRNISA-N
Compound name
(2S,4Z)-2-benzyl-4-benzylidene-5-oxo-1,3-dioxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 169.4
[M+Na]+ 333.07336 182.1
[M+NH4]+ 328.11796 177.2
[M+K]+ 349.04730 176.6
[M-H]- 309.07686 175.7
[M+Na-2H]- 331.05881 177.2
[M]+ 310.08359 173.0
[M]- 310.08469 173.0
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.