CID 26076417

4-chloro-5-methoxy-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

COC1=CN=C2C(=C1Cl)C=CN2

InChI

InChI=1S/C8H7ClN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11)

InChIKey

VAHOYWJOMYELTR-UHFFFAOYSA-N

Compound name

4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 182.02469 Da
Monoisotopic Mass: 1.9
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]+	183.03197	132.5
[M+Na]+	205.01391	147.7
[M+NH4]+	200.05851	141.6
[M+K]+	220.98785	142.2
[M-H]-	181.01741	133.8
[M+Na-2H]-	202.99936	139.7
[M]+	182.02414	135.3
[M]-	182.02524	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe