CID 14302212

88965-93-9

Structural Information

Molecular Formula

C₈H₉Cl₂NO

SMILES

C1=CC(=C(C=C1Cl)Cl)C(CN)O

InChI

InChI=1S/C8H9Cl2NO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H,4,11H2

InChIKey

WTTIEVRVCBIEQJ-UHFFFAOYSA-N

Compound name

2-amino-1-(2,4-dichlorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 205.00612 Da
Monoisotopic Mass: 1.4
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	139.2
[M+Na]+	227.995338	148.5
[M-H]-	203.998844	140.8
[M+NH4]+	223.039943	158.7
[M+K]+	243.969278	143.0
[M+H-H2O]+	188.003380	135.9
[M+HCOO]-	250.004321	152.6
[M+CH3COO]-	264.019971	183.6
[M+Na-2H]-	225.980786	142.8
[M]+	205.00557142	139.8
[M]-	205.00666858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe