CID 53462464

2,3-dihydrofluoranthene-2,3,8-triol

Structural Information

Molecular Formula
C16H12O3
SMILES
C1=CC2=C3C(=C1)C(C(C=C3C4=C2C=C(C=C4)O)O)O
InChI
InChI=1S/C16H12O3/c17-8-4-5-9-12(6-8)10-2-1-3-11-15(10)13(9)7-14(18)16(11)19/h1-7,14,16-19H
InChIKey
DGAMJJDUKFFOQB-UHFFFAOYSA-N
Compound name
2,3-dihydrofluoranthene-2,3,8-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]+ 253.085916 153.3
[M+Na]+ 275.067858 163.6
[M-H]- 251.071364 156.3
[M+NH4]+ 270.112463 174.3
[M+K]+ 291.041798 157.6
[M+H-H2O]+ 235.075900 148.4
[M+HCOO]- 297.076841 170.3
[M+CH3COO]- 311.092491 165.7
[M+Na-2H]- 273.053306 159.2
[M]+ 252.07809142 154.2
[M]- 252.07918858 154.2
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.