CID 12697788

2-[(4-bromophenyl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1=CC(=CC=C1NCCO)Br

InChI

InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2

InChIKey

GYWMAZOWKOVMKS-UHFFFAOYSA-N

Compound name

2-(4-bromoanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 214.99458 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]+	216.001856	137.6
[M+Na]+	237.983798	148.0
[M-H]-	213.987304	142.5
[M+NH4]+	233.028403	158.9
[M+K]+	253.957738	136.5
[M+H-H2O]+	197.991840	137.4
[M+HCOO]-	259.992781	159.5
[M+CH3COO]-	274.008431	184.1
[M+Na-2H]-	235.969246	146.1
[M]+	214.99403142	154.8
[M]-	214.99512858	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe