CID 82607543

1501220-44-5

Structural Information

Molecular Formula

C₈H₆ClNO₃

SMILES

C1C2=CC(=C(N=C2CO1)Cl)C(=O)O

InChI

InChI=1S/C8H6ClNO3/c9-7-5(8(11)12)1-4-2-13-3-6(4)10-7/h1H,2-3H2,(H,11,12)

InChIKey

XGBYEVXUTZAQPJ-UHFFFAOYSA-N

Compound name

2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.00362 Da
Monoisotopic Mass: 0.6
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]+	200.01090	135.8
[M+Na]+	221.99284	148.5
[M+NH4]+	217.03744	144.0
[M+K]+	237.96678	145.3
[M-H]-	197.99634	137.4
[M+Na-2H]-	219.97829	139.8
[M]+	199.00307	138.1
[M]-	199.00417	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe