CID 10892036

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

Structural Information

Molecular Formula
C19H12O4
SMILES
C1=CC2=C3C(=C1)C(=O)C(=CC3=C(C=C2)C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C19H12O4/c20-15-7-5-11(8-16(15)21)12-6-4-10-2-1-3-13-18(10)14(12)9-17(22)19(13)23/h1-9,20-22H
InChIKey
ZNAZPYKRTNDUEJ-UHFFFAOYSA-N
Compound name
4-(3,4-dihydroxyphenyl)-2-hydroxyphenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07355 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08083 167.9
[M+Na]+ 327.06277 177.8
[M-H]- 303.06627 172.9
[M+NH4]+ 322.10737 183.4
[M+K]+ 343.03671 171.8
[M+H-H2O]+ 287.07081 160.4
[M+HCOO]- 349.07175 184.8
[M+CH3COO]- 363.08740 179.1
[M+Na-2H]- 325.04822 173.5
[M]+ 304.07300 168.6
[M]- 304.07410 168.6
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

No patent data available for this compound.