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]+	158.000336	123.8
[M+Na]+	179.982278	135.2
[M-H]-	155.985784	125.5
[M+NH4]+	175.026883	144.0
[M+K]+	195.956218	131.0
[M+H-H2O]+	139.990320	119.2
[M+HCOO]-	201.991261	142.8
[M+CH3COO]-	216.006911	170.7
[M+Na-2H]-	177.967726	131.4
[M]+	156.99251142	125.4
[M]-	156.99360858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.