CID 95343

Desyl chloride

Structural Information

Molecular Formula

C₁₄H₁₁ClO

SMILES

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

InChI

InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H

InChIKey

RXDYOLRABMJTEF-UHFFFAOYSA-N

Compound name

2-chloro-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 590
Patents: 230.04984 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]+	231.05712	148.5
[M+Na]+	253.03906	155.7
[M-H]-	229.04256	154.8
[M+NH4]+	248.08366	166.7
[M+K]+	269.01300	150.8
[M+H-H2O]+	213.04710	142.1
[M+HCOO]-	275.04804	166.8
[M+CH3COO]-	289.06369	188.8
[M+Na-2H]-	251.02451	153.8
[M]+	230.04929	149.4
[M]-	230.05039	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe