CID 57753425

1352893-24-3

Structural Information

Molecular Formula

C₇H₄ClNO₂

SMILES

C1C2=CC(=NC=C2C(=O)O1)Cl

InChI

InChI=1S/C7H4ClNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2

InChIKey

HLHMQDPCHNSTNH-UHFFFAOYSA-N

Compound name

6-chloro-1H-furo[3,4-c]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 168.99306 Da
Monoisotopic Mass: 1.2
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]+	170.00034	128.4
[M+Na]+	191.98228	140.0
[M-H]-	167.98578	132.7
[M+NH4]+	187.02688	150.3
[M+K]+	207.95622	137.5
[M+H-H2O]+	151.99032	123.5
[M+HCOO]-	213.99126	146.5
[M+CH3COO]-	228.00691	143.5
[M+Na-2H]-	189.96773	136.2
[M]+	168.99251	131.6
[M]-	168.99361	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe