CID 73121825

2,3-dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1h-phenalen-1-one

Structural Information

Molecular Formula
C19H14O4
SMILES
C1=CC2=C3C(=C1)C(=O)C(C(C3=C(C=C2)C4=CC=C(C=C4)O)O)O
InChI
InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,18-20,22-23H
InChIKey
OVOZGVQCKWVCQO-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09648 168.4
[M+Na]+ 329.07842 184.2
[M+NH4]+ 324.12302 177.1
[M+K]+ 345.05236 176.5
[M-H]- 305.08192 172.6
[M+Na-2H]- 327.06387 174.4
[M]+ 306.08865 171.9
[M]- 306.08975 171.9
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.