CID 28576222

2-[(3,5-dichlorophenyl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₈H₉Cl₂NO

SMILES

C1=C(C=C(C=C1Cl)Cl)NCCO

InChI

InChI=1S/C8H9Cl2NO/c9-6-3-7(10)5-8(4-6)11-1-2-12/h3-5,11-12H,1-2H2

InChIKey

GOINWPLXAPVRED-UHFFFAOYSA-N

Compound name

2-(3,5-dichloroanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.00612 Da
Monoisotopic Mass: 2.5
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]+	206.013396	138.8
[M+Na]+	227.995338	148.4
[M-H]-	203.998844	140.8
[M+NH4]+	223.039943	158.6
[M+K]+	243.969278	142.7
[M+H-H2O]+	188.003380	135.3
[M+HCOO]-	250.004321	153.8
[M+CH3COO]-	264.019971	183.4
[M+Na-2H]-	225.980786	144.6
[M]+	205.00557142	140.9
[M]-	205.00666858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe