CID 66688

92-00-2

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₂

SMILES

C1=CC(=CC(=C1)Cl)N(CCO)CCO

InChI

InChI=1S/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2

InChIKey

MVQUJEUCFOGFJU-UHFFFAOYSA-N

Compound name

2-[3-chloro-N-(2-hydroxyethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 234
Patents: 215.0713 Da
Monoisotopic Mass: 1.3
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]+	216.07858	145.3
[M+Na]+	238.06052	152.4
[M-H]-	214.06402	147.5
[M+NH4]+	233.10512	164.0
[M+K]+	254.03446	148.8
[M+H-H2O]+	198.06856	140.2
[M+HCOO]-	260.06950	164.0
[M+CH3COO]-	274.08515	186.4
[M+Na-2H]-	236.04597	150.4
[M]+	215.07075	147.6
[M]-	215.07185	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe