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]+ 329.10198 173.8
[M+Na]+ 351.08392 177.7
[M-H]- 327.08742 174.9
[M+NH4]+ 346.12852 184.0
[M+K]+ 367.05786 174.0
[M+H-H2O]+ 311.09196 166.6
[M+HCOO]- 373.09290 188.5
[M+CH3COO]- 387.10855 200.4
[M+Na-2H]- 349.06937 171.9
[M]+ 328.09415 171.6
[M]- 328.09525 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.