CID 57115

N-(2-bromoethyl)-1-naphthamide

Structural Information

Molecular Formula

C₁₃H₁₂BrNO

SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NCCBr

InChI

InChI=1S/C13H12BrNO/c14-8-9-15-13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)

InChIKey

SWYKHWHXOLTWQS-UHFFFAOYSA-N

Compound name

N-(2-bromoethyl)naphthalene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.01022 Da
Monoisotopic Mass: 3.6
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]+	278.017496	154.5
[M+Na]+	299.999438	164.5
[M-H]-	276.002944	161.2
[M+NH4]+	295.044043	174.8
[M+K]+	315.973378	152.5
[M+H-H2O]+	260.007480	153.7
[M+HCOO]-	322.008421	175.4
[M+CH3COO]-	336.024071	197.6
[M+Na-2H]-	297.984886	162.8
[M]+	277.00967142	172.8
[M]-	277.01076858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.