CID 53418347

5-amino-2-chloroisonicotinaldehyde

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1=C(C(=CN=C1Cl)N)C=O

InChI

InChI=1S/C6H5ClN2O/c7-6-1-4(3-10)5(8)2-9-6/h1-3H,8H2

InChIKey

KDFYRFSJTMGUEL-UHFFFAOYSA-N

Compound name

5-amino-2-chloropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 156.00903 Da
Monoisotopic Mass: 1.1
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]+	157.01631	126.4
[M+Na]+	178.99825	140.3
[M+NH4]+	174.04285	135.1
[M+K]+	194.97219	133.8
[M-H]-	155.00175	128.5
[M+Na-2H]-	176.98370	133.9
[M]+	156.00848	129.2
[M]-	156.00958	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe