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]+ 253.08592 153.3
[M+Na]+ 275.06786 163.6
[M-H]- 251.07136 156.3
[M+NH4]+ 270.11246 174.3
[M+K]+ 291.04180 157.6
[M+H-H2O]+ 235.07590 148.4
[M+HCOO]- 297.07684 170.3
[M+CH3COO]- 311.09249 165.7
[M+Na-2H]- 273.05331 159.2
[M]+ 252.07809 154.2
[M]- 252.07919 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.