CID 193093

28241-21-6

Structural Information

Molecular Formula
C19H12O3
SMILES
C1=CC=C(C=C1)C2=C3C4=C(C=C2)C(=O)C=CC4=CC(=C3O)O
InChI
InChI=1S/C19H12O3/c20-15-9-6-12-10-16(21)19(22)18-13(7-8-14(15)17(12)18)11-4-2-1-3-5-11/h1-10,21-22H
InChIKey
PLZOCIOZMOKLDX-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-7-phenylphenalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

288.07864 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08592 164.3
[M+Na]+ 311.06786 174.0
[M-H]- 287.07136 170.3
[M+NH4]+ 306.11246 181.0
[M+K]+ 327.04180 167.8
[M+H-H2O]+ 271.07590 156.5
[M+HCOO]- 333.07684 182.6
[M+CH3COO]- 347.09249 176.0
[M+Na-2H]- 309.05331 170.9
[M]+ 288.07809 164.8
[M]- 288.07919 164.8
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

patents stripe