CID 199468

2-(2-chloroethyl)pyridine

Structural Information

Molecular Formula
C7H8ClN
SMILES
C1=CC=NC(=C1)CCCl
InChI
InChI=1S/C7H8ClN/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2
InChIKey
FVPGJXXACUQQGV-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

302
Patents

141.03453 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 124.6
[M+Na]+ 164.023748 133.6
[M-H]- 140.027254 126.6
[M+NH4]+ 159.068353 145.7
[M+K]+ 179.997688 130.2
[M+H-H2O]+ 124.031790 119.1
[M+HCOO]- 186.032731 143.8
[M+CH3COO]- 200.048381 172.0
[M+Na-2H]- 162.009196 133.6
[M]+ 141.03398142 126.1
[M]- 141.03507858 126.1
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