CID 69511

3-methylbenzophenone

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

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

InChI

InChI=1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

URBLVRAVOIVZFJ-UHFFFAOYSA-N

Compound name

(3-methylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6288
Patents: 196.08882 Da
Monoisotopic Mass: 3.5
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]+	197.09610	142.9
[M+Na]+	219.07804	158.6
[M+NH4]+	214.12264	152.8
[M+K]+	235.05198	150.3
[M-H]-	195.08154	148.3
[M+Na-2H]-	217.06349	153.7
[M]+	196.08827	146.9
[M]-	196.08937	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe