CID 89784815

Methyl 5-chlorofuro[2,3-c]pyridine-2-carboxylate

Structural Information

Molecular Formula

C₉H₆ClNO₃

SMILES

COC(=O)C1=CC2=CC(=NC=C2O1)Cl

InChI

InChI=1S/C9H6ClNO3/c1-13-9(12)6-2-5-3-8(10)11-4-7(5)14-6/h2-4H,1H3

InChIKey

RYGOBITWBBTURE-UHFFFAOYSA-N

Compound name

methyl 5-chlorofuro[2,3-c]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 211.00362 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]+	212.01090	137.7
[M+Na]+	233.99284	152.6
[M+NH4]+	229.03744	146.2
[M+K]+	249.96678	148.4
[M-H]-	209.99634	140.2
[M+Na-2H]-	231.97829	143.8
[M]+	211.00307	140.8
[M]-	211.00417	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe