CID 54934

Trans-2,3-dihydroxy-2,3-dihydrofluoranthene

Structural Information

Molecular Formula
C16H12O2
SMILES
C1=CC=C2C(=C1)C3=C4C2=C[C@H]([C@@H](C4=CC=C3)O)O
InChI
InChI=1S/C16H12O2/c17-14-8-13-10-5-2-1-4-9(10)11-6-3-7-12(15(11)13)16(14)18/h1-8,14,16-18H/t14-,16-/m1/s1
InChIKey
WZPSABMMMAFNIT-GDBMZVCRSA-N
Compound name
(2R,3R)-2,3-dihydrofluoranthene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 149.5
[M+Na]+ 259.07294 164.6
[M+NH4]+ 254.11754 160.4
[M+K]+ 275.04688 158.1
[M-H]- 235.07644 153.0
[M+Na-2H]- 257.05839 154.6
[M]+ 236.08317 152.8
[M]- 236.08427 152.8
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.