CID 72213962

6-chloro-3-hydroxypyridine-2-carbaldehyde

Structural Information

Molecular Formula
C6H4ClNO2
SMILES
C1=CC(=NC(=C1O)C=O)Cl
InChI
InChI=1S/C6H4ClNO2/c7-6-2-1-5(10)4(3-9)8-6/h1-3,10H
InChIKey
NLJYVIUXHFOFMB-UHFFFAOYSA-N
Compound name
6-chloro-3-hydroxypyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.99306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00034 124.5
[M+Na]+ 179.98228 135.7
[M-H]- 155.98578 126.3
[M+NH4]+ 175.02688 144.8
[M+K]+ 195.95622 132.1
[M+H-H2O]+ 139.99032 119.9
[M+HCOO]- 201.99126 143.4
[M+CH3COO]- 216.00691 171.5
[M+Na-2H]- 177.96773 132.2
[M]+ 156.99251 126.8
[M]- 156.99361 126.8
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.