CID 70830

2,6-dimethylbenzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O

SMILES

CC1=C(C(=CC=C1)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14O/c1-11-7-6-8-12(2)14(11)15(16)13-9-4-3-5-10-13/h3-10H,1-2H3

InChIKey

HBPDHOUFKMTSHG-UHFFFAOYSA-N

Compound name

(2,6-dimethylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 210.10446 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]+	211.11174	147.0
[M+Na]+	233.09368	162.9
[M+NH4]+	228.13828	156.7
[M+K]+	249.06762	154.5
[M-H]-	209.09718	152.4
[M+Na-2H]-	231.07913	157.3
[M]+	210.10391	151.1
[M]-	210.10501	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe