CID 3102

Benzophenone

Structural Information

Molecular Formula

C₁₃H₁₀O

SMILES

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

InChI

InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

RWCCWEUUXYIKHB-UHFFFAOYSA-N

Compound name

diphenylmethanone

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1375
References: 172999
Patents: 182.07317 Da
Monoisotopic Mass: 3.4
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]+	183.08045	137.5
[M+Na]+	205.06239	144.6
[M-H]-	181.06589	144.2
[M+NH4]+	200.10699	156.8
[M+K]+	221.03633	141.3
[M+H-H2O]+	165.07043	130.6
[M+HCOO]-	227.07137	161.7
[M+CH3COO]-	241.08702	181.2
[M+Na-2H]-	203.04784	145.0
[M]+	182.07262	136.3
[M]-	182.07372	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe