CID 14046674

114077-82-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

739
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

literature stripe

Patent stripe

patents stripe