CID 72217883

1289120-32-6

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

C1=C(C(=O)C(=CN1)Cl)C=O

InChI

InChI=1S/C6H4ClNO2/c7-5-2-8-1-4(3-9)6(5)10/h1-3H,(H,8,10)

InChIKey

ALPNVENFFWNYPU-UHFFFAOYSA-N

Compound name

5-chloro-4-oxo-1H-pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.99306 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]+	158.00034	125.2
[M+Na]+	179.98228	139.7
[M+NH4]+	175.02688	133.3
[M+K]+	195.95622	133.3
[M-H]-	155.98578	125.9
[M+Na-2H]-	177.96773	132.3
[M]+	156.99251	127.6
[M]-	156.99361	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.