CID 53462463

2,3-dihydrofluoranthene-2,3,9-triol

Structural Information

Molecular Formula
C16H12O3
SMILES
C1=CC2=C3C(=C1)C(C(C=C3C4=C2C=CC(=C4)O)O)O
InChI
InChI=1S/C16H12O3/c17-8-4-5-9-10-2-1-3-11-15(10)13(12(9)6-8)7-14(18)16(11)19/h1-7,14,16-19H
InChIKey
PIYPRVLDLQHHKG-UHFFFAOYSA-N
Compound name
2,3-dihydrofluoranthene-2,3,9-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 153.0
[M+Na]+ 275.06786 167.4
[M+NH4]+ 270.11246 163.0
[M+K]+ 291.04180 161.9
[M-H]- 251.07136 155.5
[M+Na-2H]- 273.05331 156.8
[M]+ 252.07809 155.8
[M]- 252.07919 155.8
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.