CID 12563081

692057-07-1

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

C1OC2=C(O1)N=CC(=C2)Cl

InChI

InChI=1S/C6H4ClNO2/c7-4-1-5-6(8-2-4)10-3-9-5/h1-2H,3H2

InChIKey

ITEXNDRPLZKDTR-UHFFFAOYSA-N

Compound name

6-chloro-[1,3]dioxolo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 156.99306 Da
Monoisotopic Mass: 1.6
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]+	158.000336	125.1
[M+Na]+	179.982278	136.0
[M-H]-	155.985784	129.8
[M+NH4]+	175.026883	145.9
[M+K]+	195.956218	135.4
[M+H-H2O]+	139.990320	120.3
[M+HCOO]-	201.991261	142.4
[M+CH3COO]-	216.006911	140.3
[M+Na-2H]-	177.967726	134.8
[M]+	156.99251142	128.9
[M]-	156.99360858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe