CID 4581103

7-hydroxy-1h-phenalen-1-one

Structural Information

Molecular Formula
C13H8O2
SMILES
C1=CC2=C3C(=C1)C(=CC=C3C(=O)C=C2)O
InChI
InChI=1S/C13H8O2/c14-11-6-4-8-2-1-3-9-12(15)7-5-10(11)13(8)9/h1-7,15H
InChIKey
BESDIAJTHBDPFY-UHFFFAOYSA-N
Compound name
7-hydroxyphenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

196.05243 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05971 137.9
[M+Na]+ 219.04165 147.9
[M-H]- 195.04515 142.1
[M+NH4]+ 214.08625 159.3
[M+K]+ 235.01559 143.5
[M+H-H2O]+ 179.04969 132.1
[M+HCOO]- 241.05063 158.6
[M+CH3COO]- 255.06628 151.7
[M+Na-2H]- 217.02710 147.4
[M]+ 196.05188 138.7
[M]- 196.05298 138.7
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.