CID 43591470

3-bromo-n-(2-ethoxyethyl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

CCOCCNC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C11H14BrNO2/c1-2-15-7-6-13-11(14)9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H,13,14)

InChIKey

YQMSMLHVYYQXIS-UHFFFAOYSA-N

Compound name

3-bromo-N-(2-ethoxyethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.02078 Da
Monoisotopic Mass: 2.1
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]+	272.028056	152.8
[M+Na]+	294.009998	162.4
[M-H]-	270.013504	158.6
[M+NH4]+	289.054603	172.5
[M+K]+	309.983938	151.4
[M+H-H2O]+	254.018040	151.6
[M+HCOO]-	316.018981	174.6
[M+CH3COO]-	330.034631	196.2
[M+Na-2H]-	291.995446	159.0
[M]+	271.02023142	172.8
[M]-	271.02132858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.