CID 129788859

2-chloro-3-(2-chloroethyl)pyridine

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
C1=CC(=C(N=C1)Cl)CCCl
InChI
InChI=1S/C7H7Cl2N/c8-4-3-6-2-1-5-10-7(6)9/h1-2,5H,3-4H2
InChIKey
JEFPWHDFVYWVPI-UHFFFAOYSA-N
Compound name
2-chloro-3-(2-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.99556 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.002836 130.0
[M+Na]+ 197.984778 140.2
[M-H]- 173.988284 131.5
[M+NH4]+ 193.029383 150.3
[M+K]+ 213.958718 135.4
[M+H-H2O]+ 157.992820 125.2
[M+HCOO]- 219.993761 144.0
[M+CH3COO]- 234.009411 177.9
[M+Na-2H]- 195.970226 137.4
[M]+ 174.99501142 132.7
[M]- 174.99610858 132.7
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