CID 417436

Pyridine-4-carbonyl chloride

Structural Information

Molecular Formula
C6H4ClNO
SMILES
C1=CN=CC=C1C(=O)Cl
InChI
InChI=1S/C6H4ClNO/c7-6(9)5-1-3-8-4-2-5/h1-4H
InChIKey
RVQZKNOMKUSGCI-UHFFFAOYSA-N
Compound name
pyridine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5927
Patents

140.99814 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.005416 121.8
[M+Na]+ 163.987358 131.3
[M-H]- 139.990864 124.2
[M+NH4]+ 159.031963 142.7
[M+K]+ 179.961298 128.5
[M+H-H2O]+ 123.995400 116.6
[M+HCOO]- 185.996341 140.9
[M+CH3COO]- 200.011991 170.8
[M+Na-2H]- 161.972806 130.2
[M]+ 140.99759142 123.1
[M]- 140.99868858 123.1
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