CID 70168455

1260663-83-9

Structural Information

Molecular Formula

C₆H₄BrNO₂

SMILES

C1OC2=C(C=CN=C2O1)Br

InChI

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

InChIKey

VITHYEBBFYQSIT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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]+	201.949816	131.9
[M+Na]+	223.931758	145.1
[M-H]-	199.935264	139.4
[M+NH4]+	218.976363	153.8
[M+K]+	239.905698	137.8
[M+H-H2O]+	183.939800	132.9
[M+HCOO]-	245.940741	151.7
[M+CH3COO]-	259.956391	148.6
[M+Na-2H]-	221.917206	142.8
[M]+	200.94199142	152.4
[M]-	200.94308858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe