CID 66757

2-chloro-n-(2-hydroxyethyl)aniline

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC=C(C(=C1)NCCO)Cl

InChI

InChI=1S/C8H10ClNO/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6H2

InChIKey

IAULHYVZSIFNPB-UHFFFAOYSA-N

Compound name

2-(2-chloroanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 171.04509 Da
Monoisotopic Mass: 2.2
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]+	172.052366	133.0
[M+Na]+	194.034308	141.2
[M-H]-	170.037814	135.3
[M+NH4]+	189.078913	153.5
[M+K]+	210.008248	137.0
[M+H-H2O]+	154.042350	128.4
[M+HCOO]-	216.043291	153.1
[M+CH3COO]-	230.058941	177.5
[M+Na-2H]-	192.019756	140.3
[M]+	171.04454142	133.7
[M]-	171.04563858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe