CID 3066911

80673-02-5

Structural Information

Molecular Formula

C₇H₆Cl₃NO

SMILES

C1=CC=NC(=C1)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C7H6Cl3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4,6,12H

InChIKey

VQQUQMTWROHDAY-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1-pyridin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.95149 Da
Monoisotopic Mass: 1.9
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]+	225.95877	139.3
[M+Na]+	247.94071	148.2
[M-H]-	223.94421	138.7
[M+NH4]+	242.98531	156.6
[M+K]+	263.91465	142.9
[M+H-H2O]+	207.94875	135.5
[M+HCOO]-	269.94969	144.2
[M+CH3COO]-	283.96534	182.3
[M+Na-2H]-	245.92616	145.2
[M]+	224.95094	140.2
[M]-	224.95204	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.