CID 853063

N-(4-bromo-3-methylphenyl)-2-phenoxyacetamide

Structural Information

Molecular Formula

C₁₅H₁₄BrNO₂

SMILES

CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C15H14BrNO2/c1-11-9-12(7-8-14(11)16)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)

InChIKey

RGGNSZGCMKIYCB-UHFFFAOYSA-N

Compound name

N-(4-bromo-3-methylphenyl)-2-phenoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.02078 Da
Monoisotopic Mass: 4.5
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]+	320.028056	164.7
[M+Na]+	342.009998	174.3
[M-H]-	318.013504	173.6
[M+NH4]+	337.054603	182.2
[M+K]+	357.983938	162.7
[M+H-H2O]+	302.018040	162.8
[M+HCOO]-	364.018981	186.5
[M+CH3COO]-	378.034631	204.5
[M+Na-2H]-	339.995446	170.5
[M]+	319.02023142	184.0
[M]-	319.02132858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.