CID 83074675

2-chloro-6-hydroxypyridine-4-carbonitrile

Structural Information

Molecular Formula
C6H3ClN2O
SMILES
C1=C(C=C(NC1=O)Cl)C#N
InChI
InChI=1S/C6H3ClN2O/c7-5-1-4(3-8)2-6(10)9-5/h1-2H,(H,9,10)
InChIKey
PZBFXMLZXFRMFH-UHFFFAOYSA-N
Compound name
2-chloro-6-oxo-1H-pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.9934 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00068 126.8
[M+Na]+ 176.98262 139.5
[M-H]- 152.98612 128.1
[M+NH4]+ 172.02722 145.0
[M+K]+ 192.95656 134.8
[M+H-H2O]+ 136.99066 115.5
[M+HCOO]- 198.99160 142.2
[M+CH3COO]- 213.00725 184.1
[M+Na-2H]- 174.96807 133.7
[M]+ 153.99285 122.4
[M]- 153.99395 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.