CID 25950

3-chloro-4'-methylbenzophenone

Structural Information

Molecular Formula

C₁₄H₁₁ClO

SMILES

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

InChI

InChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12/h2-9H,1H3

InChIKey

MVYBBEGJXRCIGB-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 230.04984 Da
Monoisotopic Mass: 4.5
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]+	231.05712	148.6
[M+Na]+	253.03906	165.5
[M+NH4]+	248.08366	158.7
[M+K]+	269.01300	156.4
[M-H]-	229.04256	154.0
[M+Na-2H]-	251.02451	159.2
[M]+	230.04929	153.1
[M]-	230.05039	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe