CID 53412602

1190318-41-2

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=CN=C2C(=CNC2=C1Cl)Br

InChI

InChI=1S/C7H4BrClN2/c8-4-3-11-7-5(9)1-2-10-6(4)7/h1-3,11H

InChIKey

RSWACOURMIZDLI-UHFFFAOYSA-N

Compound name

3-bromo-7-chloro-1H-pyrrolo[3,2-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.92464 Da
Monoisotopic Mass: 2.4
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]+	230.93192	140.7
[M+Na]+	252.91386	146.5
[M+NH4]+	247.95846	146.5
[M+K]+	268.88780	146.5
[M-H]-	228.91736	140.9
[M+Na-2H]-	250.89931	144.7
[M]+	229.92409	140.7
[M]-	229.92519	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.