CID 12563090

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

Structural Information

Molecular Formula

C₆H₄BrNO₂

SMILES

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

InChI

InChI=1S/C6H4BrNO2/c7-4-1-5-6(8-2-4)10-3-9-5/h1-2H,3H2

InChIKey

HGGHHALBPHBHNP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 200.94254 Da
Monoisotopic Mass: 1.7
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]+	201.94982	133.8
[M+Na]+	223.93176	137.7
[M+NH4]+	218.97636	139.3
[M+K]+	239.90570	139.9
[M-H]-	199.93526	136.2
[M+Na-2H]-	221.91721	136.0
[M]+	200.94199	133.9
[M]-	200.94309	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe