CID 5273929

1-(4-{2-[4-(2,2-dihydroxy-acetyl)-phenyl]-vinyl}-phenyl)-2,2-dihydroxy-ethanone

Structural Information

Molecular Formula
C18H16O6
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=O)C(O)O)C(=O)C(O)O
InChI
InChI=1S/C18H16O6/c19-15(17(21)22)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20)18(23)24/h1-10,17-18,21-24H/b2-1+
InChIKey
HUJJSUOOGNOOMK-OWOJBTEDSA-N
Compound name
1-[4-[(E)-2-[4-(2,2-dihydroxyacetyl)phenyl]ethenyl]phenyl]-2,2-dihydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.0947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 173.8
[M+Na]+ 351.083918 177.7
[M-H]- 327.087424 174.9
[M+NH4]+ 346.128523 184.0
[M+K]+ 367.057858 174.0
[M+H-H2O]+ 311.091960 166.6
[M+HCOO]- 373.092901 188.5
[M+CH3COO]- 387.108551 200.4
[M+Na-2H]- 349.069366 171.9
[M]+ 328.09415142 171.6
[M]- 328.09524858 171.6
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.