CID 132342232

2137886-32-7

Structural Information

Molecular Formula

C₆H₂ClF₂NO₂

SMILES

C1=CC(=NC2=C1OC(O2)(F)F)Cl

InChI

InChI=1S/C6H2ClF2NO2/c7-4-2-1-3-5(10-4)12-6(8,9)11-3/h1-2H

InChIKey

NQGVDNWGQUWGNF-UHFFFAOYSA-N

Compound name

5-chloro-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.97421 Da
Monoisotopic Mass: 2.7
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]+	193.981486	128.0
[M+Na]+	215.963428	140.8
[M-H]-	191.966934	130.7
[M+NH4]+	211.008033	149.6
[M+K]+	231.937368	139.4
[M+H-H2O]+	175.971470	122.1
[M+HCOO]-	237.972411	143.3
[M+CH3COO]-	251.988061	142.9
[M+Na-2H]-	213.948876	137.1
[M]+	192.97366142	130.3
[M]-	192.97475858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.