CID 23017

3,5,6-trichloro-2-pyridinol

Structural Information

Molecular Formula

C₅H₂Cl₃NO

SMILES

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

InChI

InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

InChIKey

WCYYAQFQZQEUEN-UHFFFAOYSA-N

Compound name

3,5,6-trichloro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 285
References: 528
Patents: 196.9202 Da
Monoisotopic Mass: 3.2
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]+	197.927476	128.8
[M+Na]+	219.909418	141.2
[M-H]-	195.912924	128.8
[M+NH4]+	214.954023	147.9
[M+K]+	235.883358	135.1
[M+H-H2O]+	179.917460	125.8
[M+HCOO]-	241.918401	136.9
[M+CH3COO]-	255.934051	178.6
[M+Na-2H]-	217.894866	134.2
[M]+	196.91965142	130.3
[M]-	196.92074858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe