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

23
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 124.6
[M+Na]+ 164.02375 133.3
[M-H]- 140.02725 126.7
[M+NH4]+ 159.06835 145.7
[M+K]+ 179.99769 130.4
[M+H-H2O]+ 124.03179 119.2
[M+HCOO]- 186.03273 142.9
[M+CH3COO]- 200.04838 172.8
[M+Na-2H]- 162.00920 132.4
[M]+ 141.03398 125.5
[M]- 141.03508 125.5
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