CID 3086181

84255-35-6

Structural Information

Molecular Formula

C₁₈H₁₄O₂

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14O2/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h2-12H,1H3

InChIKey

NGPLOXCCMGHIEM-UHFFFAOYSA-N

Compound name

(6-methoxynaphthalen-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 262.09937 Da
Monoisotopic Mass: 4.8
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]+	263.106646	158.9
[M+Na]+	285.088588	166.9
[M-H]-	261.092094	166.6
[M+NH4]+	280.133193	176.2
[M+K]+	301.062528	162.4
[M+H-H2O]+	245.096630	150.8
[M+HCOO]-	307.097571	181.2
[M+CH3COO]-	321.113221	171.4
[M+Na-2H]-	283.074036	165.3
[M]+	262.09882142	160.2
[M]-	262.09991858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe