CID 56844026

5,6-dihydrofluoranthen-6a(4h)-yl hydroperoxide

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

C1CC2=C3C(=CC=C2)C4=CC=CC=C4C3(C1)OO

InChI

InChI=1S/C16H14O2/c17-18-16-10-4-6-11-5-3-8-13(15(11)16)12-7-1-2-9-14(12)16/h1-3,5,7-9,17H,4,6,10H2

InChIKey

IXCBSNLRMVSFJK-UHFFFAOYSA-N

Compound name

10b-hydroperoxy-2,3-dihydro-1H-fluoranthene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.09938 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.106656	152.3
[M+Na]+	261.088598	161.1
[M-H]-	237.092104	156.8
[M+NH4]+	256.133203	176.4
[M+K]+	277.062538	155.8
[M+H-H2O]+	221.096640	146.0
[M+HCOO]-	283.097581	170.7
[M+CH3COO]-	297.113231	164.9
[M+Na-2H]-	259.074046	160.5
[M]+	238.09883142	152.7
[M]-	238.09992858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.