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

361
Patents

140.99814 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.00542 121.3
[M+Na]+ 163.98736 132.0
[M-H]- 139.99086 124.0
[M+NH4]+ 159.03196 142.7
[M+K]+ 179.96130 128.8
[M+H-H2O]+ 123.99540 116.3
[M+HCOO]- 185.99634 141.4
[M+CH3COO]- 200.01199 171.0
[M+Na-2H]- 161.97281 130.2
[M]+ 140.99759 123.7
[M]- 140.99869 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