CID 11469141

2-phenylcyclobutanone

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1CC(=O)C1C2=CC=CC=C2

InChI

InChI=1S/C10H10O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

BJFZFQHWYGJPQD-UHFFFAOYSA-N

Compound name

2-phenylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 146.07317 Da
Monoisotopic Mass: 1.7
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]+	147.08045	123.2
[M+Na]+	169.06239	130.2
[M-H]-	145.06589	130.1
[M+NH4]+	164.10699	138.3
[M+K]+	185.03633	131.1
[M+H-H2O]+	129.07043	112.7
[M+HCOO]-	191.07137	146.4
[M+CH3COO]-	205.08702	178.4
[M+Na-2H]-	167.04784	130.4
[M]+	146.07262	130.5
[M]-	146.07372	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe