CID 2763076

3-acetylbenzophenone

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

CC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10H,1H3

InChIKey

PPNGALBGZJBTRY-UHFFFAOYSA-N

Compound name

1-(3-benzoylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 91
Patents: 224.08372 Da
Monoisotopic Mass: 3.1
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]+	225.09100	148.4
[M+Na]+	247.07294	155.5
[M-H]-	223.07644	155.3
[M+NH4]+	242.11754	166.2
[M+K]+	263.04688	152.3
[M+H-H2O]+	207.08098	141.3
[M+HCOO]-	269.08192	171.4
[M+CH3COO]-	283.09757	190.3
[M+Na-2H]-	245.05839	152.9
[M]+	224.08317	148.5
[M]-	224.08427	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe