CID 12259933

(2,5,6-trichloropyridin-3-yl)methanol

Structural Information

Molecular Formula

C₆H₄Cl₃NO

SMILES

C1=C(C(=NC(=C1Cl)Cl)Cl)CO

InChI

InChI=1S/C6H4Cl3NO/c7-4-1-3(2-11)5(8)10-6(4)9/h1,11H,2H2

InChIKey

DIKOCDNAUXARJW-UHFFFAOYSA-N

Compound name

(2,5,6-trichloro-3-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.93585 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]+	211.943126	133.7
[M+Na]+	233.925068	145.4
[M-H]-	209.928574	133.5
[M+NH4]+	228.969673	152.3
[M+K]+	249.899008	139.7
[M+H-H2O]+	193.933110	130.4
[M+HCOO]-	255.934051	141.3
[M+CH3COO]-	269.949701	182.2
[M+Na-2H]-	231.910516	138.6
[M]+	210.93530142	136.3
[M]-	210.93639858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe