CID 12461

Phentydrone

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

C1CCC2=C(C1)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H12O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,5,7H,2,4,6,8H2

InChIKey

PWTXAEYNCISTMB-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydrofluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 184.08882 Da
Monoisotopic Mass: 2.9
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]+	185.09610	137.7
[M+Na]+	207.07804	146.3
[M-H]-	183.08154	143.1
[M+NH4]+	202.12264	161.6
[M+K]+	223.05198	142.1
[M+H-H2O]+	167.08608	132.2
[M+HCOO]-	229.08702	159.0
[M+CH3COO]-	243.10267	151.5
[M+Na-2H]-	205.06349	143.9
[M]+	184.08827	135.8
[M]-	184.08937	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe