CID 99889

25061-77-2

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

C1=CC=C2C(=C1)C(C(C3=CC=CC=C32)O)O

InChI

InChI=1S/C14H12O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,13-16H

InChIKey

MFXNBQWUTDDOKE-UHFFFAOYSA-N

Compound name

9,10-dihydrophenanthrene-9,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 44
Patents: 212.08372 Da
Monoisotopic Mass: 1.6
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]+	213.090996	143.1
[M+Na]+	235.072938	152.0
[M-H]-	211.076444	146.3
[M+NH4]+	230.117543	162.9
[M+K]+	251.046878	147.0
[M+H-H2O]+	195.080980	137.3
[M+HCOO]-	257.081921	161.6
[M+CH3COO]-	271.097571	155.7
[M+Na-2H]-	233.058386	151.2
[M]+	212.08317142	141.3
[M]-	212.08426858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe