CID 6452844

2-naphthalenecarboxylic acid, phenylmethyl ester

Structural Information

Molecular Formula

C₁₈H₁₄O₂

SMILES

C1=CC=C(C=C1)COC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H14O2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2

InChIKey

NNHOWTWENRJEMQ-UHFFFAOYSA-N

Compound name

benzyl naphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 262.09937 Da
Monoisotopic Mass: 5.2
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]+	263.106646	159.3
[M+Na]+	285.088588	166.4
[M-H]-	261.092094	166.6
[M+NH4]+	280.133193	176.4
[M+K]+	301.062528	161.9
[M+H-H2O]+	245.096630	151.1
[M+HCOO]-	307.097571	181.7
[M+CH3COO]-	321.113221	171.5
[M+Na-2H]-	283.074036	166.4
[M]+	262.09882142	160.1
[M]-	262.09991858	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe