CID 85308851

2,3-dihydro-2,3-dihydroxy-9-phenyl-1h-phenalen-1-one

Structural Information

Molecular Formula
C19H14O3
SMILES
C1=CC=C(C=C1)C2=C3C(=O)C(C(C4=CC=CC(=C43)C=C2)O)O
InChI
InChI=1S/C19H14O3/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(21)19(17)22/h1-10,17,19-20,22H
InChIKey
XCXWPSAMZIDDPC-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-9-phenyl-2,3-dihydrophenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 165.1
[M+Na]+ 313.08352 173.7
[M-H]- 289.08702 170.7
[M+NH4]+ 308.12812 181.6
[M+K]+ 329.05746 167.7
[M+H-H2O]+ 273.09156 157.3
[M+HCOO]- 335.09250 182.0
[M+CH3COO]- 349.10815 176.2
[M+Na-2H]- 311.06897 170.7
[M]+ 290.09375 164.2
[M]- 290.09485 164.2
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.