CID 121228697

6-chloro-2-iodo-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula

C₇H₄ClIN₂

SMILES

C1=CC(=NC2=C1C=C(N2)I)Cl

InChI

InChI=1S/C7H4ClIN2/c8-5-2-1-4-3-6(9)11-7(4)10-5/h1-3H,(H,10,11)

InChIKey

YBJCBOKUBKZCPN-UHFFFAOYSA-N

Compound name

6-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 277.91077 Da
Monoisotopic Mass: 3.0
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]+	278.91805	134.8
[M+Na]+	300.89999	142.4
[M+NH4]+	295.94459	139.9
[M+K]+	316.87393	140.1
[M-H]-	276.90349	130.3
[M+Na-2H]-	298.88544	130.0
[M]+	277.91022	133.8
[M]-	277.91132	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe