CID 240461

2,3-dihydrophenanthren-4(1h)-one

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

C1CC2=C(C(=O)C1)C3=CC=CC=C3C=C2

InChI

InChI=1S/C14H12O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-2,4,6,8-9H,3,5,7H2

InChIKey

HQVRULPLURPAJY-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-phenanthren-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 32
Patents: 196.08882 Da
Monoisotopic Mass: 3.3
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]+	197.09610	140.8
[M+Na]+	219.07804	156.4
[M+NH4]+	214.12264	152.1
[M+K]+	235.05198	147.3
[M-H]-	195.08154	145.7
[M+Na-2H]-	217.06349	148.8
[M]+	196.08827	144.6
[M]-	196.08937	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe