CID 63705542

2-(2-bromophenyl)-2-acetamidoacetic acid

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₃

SMILES

CC(=O)NC(C1=CC=CC=C1Br)C(=O)O

InChI

InChI=1S/C10H10BrNO3/c1-6(13)12-9(10(14)15)7-4-2-3-5-8(7)11/h2-5,9H,1H3,(H,12,13)(H,14,15)

InChIKey

HRPJAYRFHJGFQU-UHFFFAOYSA-N

Compound name

2-acetamido-2-(2-bromophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.9844 Da
Monoisotopic Mass: 1.5
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]+	271.991676	150.9
[M+Na]+	293.973618	159.9
[M-H]-	269.977124	155.6
[M+NH4]+	289.018223	169.5
[M+K]+	309.947558	149.2
[M+H-H2O]+	253.981660	149.9
[M+HCOO]-	315.982601	170.0
[M+CH3COO]-	329.998251	193.9
[M+Na-2H]-	291.959066	154.8
[M]+	270.98385142	168.1
[M]-	270.98494858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.