CID 14444196

5-chloro-pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C6H4ClNO
SMILES
C1=C(C=NC=C1Cl)C=O
InChI
InChI=1S/C6H4ClNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChIKey
BCELHNLIYYAOLV-UHFFFAOYSA-N
Compound name
5-chloropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

140.99814 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.005416 121.3
[M+Na]+ 163.987358 132.0
[M-H]- 139.990864 124.0
[M+NH4]+ 159.031963 142.7
[M+K]+ 179.961298 128.8
[M+H-H2O]+ 123.995400 116.3
[M+HCOO]- 185.996341 141.4
[M+CH3COO]- 200.011991 171.0
[M+Na-2H]- 161.972806 130.2
[M]+ 140.99759142 123.7
[M]- 140.99868858 123.7
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

patents stripe