CID 99087

1,2-dihydro-1,2-acenaphthylenediol

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C1=CC2=C3C(=C1)C(C(C3=CC=C2)O)O

InChI

InChI=1S/C12H10O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-14H

InChIKey

ARGFAPRYULRPAN-UHFFFAOYSA-N

Compound name

1,2-dihydroacenaphthylene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 38
Patents: 186.06808 Da
Monoisotopic Mass: 1.2
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]+	187.07536	136.9
[M+Na]+	209.05730	146.7
[M-H]-	185.06080	139.9
[M+NH4]+	204.10190	160.1
[M+K]+	225.03124	142.2
[M+H-H2O]+	169.06534	132.5
[M+HCOO]-	231.06628	157.1
[M+CH3COO]-	245.08193	150.7
[M+Na-2H]-	207.04275	143.8
[M]+	186.06753	137.1
[M]-	186.06863	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe