CID 14442206

4-(1-chloroethyl)pyridine

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC(C1=CC=NC=C1)Cl
InChI
InChI=1S/C7H8ClN/c1-6(8)7-2-4-9-5-3-7/h2-6H,1H3
InChIKey
XBTYVRGJFWXDCX-UHFFFAOYSA-N
Compound name
4-(1-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

141.03453 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 125.1
[M+Na]+ 164.02375 139.8
[M+NH4]+ 159.06835 135.1
[M+K]+ 179.99769 132.4
[M-H]- 140.02725 127.7
[M+Na-2H]- 162.00920 133.9
[M]+ 141.03398 128.3
[M]- 141.03508 128.3
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