CID 268008

4-hydroxy-3-(4-phenoxybenzyl)naphthalene-1,2-dione

Structural Information

Molecular Formula
C23H16O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C23H16O4/c24-21-18-8-4-5-9-19(18)22(25)23(26)20(21)14-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13,24H,14H2
InChIKey
ZMXWOXDCBVZFFP-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-phenoxyphenyl)methyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.10486 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11214 183.5
[M+Na]+ 379.09408 191.8
[M-H]- 355.09758 193.1
[M+NH4]+ 374.13868 196.0
[M+K]+ 395.06802 185.8
[M+H-H2O]+ 339.10212 173.5
[M+HCOO]- 401.10306 203.7
[M+CH3COO]- 415.11871 194.2
[M+Na-2H]- 377.07953 187.1
[M]+ 356.10431 184.4
[M]- 356.10541 184.4
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.