CID 74807

2-naphthyl formate

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)OC=O

InChI

InChI=1S/C11H8O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H

InChIKey

ZSFLPNDWUWXOGM-UHFFFAOYSA-N

Compound name

naphthalen-2-yl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2524
Patents: 172.05243 Da
Monoisotopic Mass: 3.3
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]+	173.059706	131.7
[M+Na]+	195.041648	141.0
[M-H]-	171.045154	136.7
[M+NH4]+	190.086253	153.2
[M+K]+	211.015588	138.3
[M+H-H2O]+	155.049690	125.8
[M+HCOO]-	217.050631	156.3
[M+CH3COO]-	231.066281	179.1
[M+Na-2H]-	193.027096	141.6
[M]+	172.05188142	133.7
[M]-	172.05297858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe