CID 57633427

727736-70-1

Structural Information

Molecular Formula

C₆H₃ClN₂O

SMILES

C1=CC(=NC(=C1O)C#N)Cl

InChI

InChI=1S/C6H3ClN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H

InChIKey

RAICBBLNRBJZFX-UHFFFAOYSA-N

Compound name

6-chloro-3-hydroxypyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 153.9934 Da
Monoisotopic Mass: 2.1
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]+	155.000676	126.2
[M+Na]+	176.982618	138.7
[M-H]-	152.986124	127.5
[M+NH4]+	172.027223	144.5
[M+K]+	192.956558	134.5
[M+H-H2O]+	136.990660	114.9
[M+HCOO]-	198.991601	141.5
[M+CH3COO]-	213.007251	184.8
[M+Na-2H]-	174.968066	133.2
[M]+	153.99285142	122.4
[M]-	153.99394858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe