CID 57461139

1206454-49-0

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1=CC(=NC(=C1N)C=O)Cl

InChI

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

InChIKey

HAHGVQYASHKXSS-UHFFFAOYSA-N

Compound name

3-amino-6-chloropyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 156.00903 Da
Monoisotopic Mass: 1.5
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	126.8
[M+Na]+	178.99825	137.6
[M-H]-	155.00175	129.3
[M+NH4]+	174.04285	147.2
[M+K]+	194.97219	133.8
[M+H-H2O]+	139.00629	121.6
[M+HCOO]-	201.00723	147.3
[M+CH3COO]-	215.02288	176.2
[M+Na-2H]-	176.98370	134.0
[M]+	156.00848	127.7
[M]-	156.00958	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe