CID 85362234

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

Structural Information

Molecular Formula
C19H14O5
SMILES
C1=CC2=C3C(=C1)C(=O)C(C(C3=C(C=C2)C4=CC(=C(C=C4)O)O)O)O
InChI
InChI=1S/C19H14O5/c20-13-7-5-10(8-14(13)21)11-6-4-9-2-1-3-12-15(9)16(11)18(23)19(24)17(12)22/h1-8,18-21,23-24H
InChIKey
KYFLPCGJIAGYKZ-UHFFFAOYSA-N
Compound name
4-(3,4-dihydroxyphenyl)-2,3-dihydroxy-2,3-dihydrophenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09142 172.2
[M+Na]+ 345.07336 181.2
[M-H]- 321.07686 175.8
[M+NH4]+ 340.11796 186.3
[M+K]+ 361.04730 175.6
[M+H-H2O]+ 305.08140 165.0
[M+HCOO]- 367.08234 186.1
[M+CH3COO]- 381.09799 182.3
[M+Na-2H]- 343.05881 175.9
[M]+ 322.08359 171.6
[M]- 322.08469 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.