CID 74571

4-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H6ClN
SMILES
C1=CN=CC=C1CCl
InChI
InChI=1S/C6H6ClN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2
InChIKey
WZIYCIBURCPKAR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

6466
Patents

127.018875 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.026151 119.8
[M+Na]+ 150.008093 129.3
[M-H]- 126.011599 122.1
[M+NH4]+ 145.052698 141.5
[M+K]+ 165.982033 126.2
[M+H-H2O]+ 110.016135 114.6
[M+HCOO]- 172.017076 139.5
[M+CH3COO]- 186.032726 169.0
[M+Na-2H]- 147.993541 129.5
[M]+ 127.01832642 121.0
[M]- 127.01942358 121.0
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