CID 51858

4'-acetonyloxy-2-chloro-1'-acetonaphthone

Structural Information

Molecular Formula

C₁₅H₁₃ClO₃

SMILES

CC(=O)COC1=CC=C(C2=CC=CC=C21)C(=O)CCl

InChI

InChI=1S/C15H13ClO3/c1-10(17)9-19-15-7-6-12(14(18)8-16)11-4-2-3-5-13(11)15/h2-7H,8-9H2,1H3

InChIKey

DRZGRVYAIDGBMC-UHFFFAOYSA-N

Compound name

1-[4-(2-chloroacetyl)naphthalen-1-yl]oxypropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.05533 Da
Monoisotopic Mass: 3.2
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]+	277.062606	158.2
[M+Na]+	299.044548	167.0
[M-H]-	275.048054	162.7
[M+NH4]+	294.089153	176.3
[M+K]+	315.018488	162.5
[M+H-H2O]+	259.052590	152.5
[M+HCOO]-	321.053531	175.2
[M+CH3COO]-	335.069181	199.0
[M+Na-2H]-	297.029996	162.3
[M]+	276.05478142	163.7
[M]-	276.05587858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.